data_1x5h_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 1x5h _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 ' 17' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.632 0.73 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 143.16 49.87 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.3 t -117.62 33.48 5.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -133.15 137.25 46.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 22' ' ' PRO . . . -114.53 168.73 7.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 0.0 111.098 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.75 145.18 56.45 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 42' ' ' PRO . 1.9 mp0 -109.35 -179.7 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 53.91 36.9 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.2 tp -65.27 134.9 54.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -148.0 156.59 42.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.2 mt -130.46 96.31 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 28' ' ' GLU . 5.0 tm-20 -84.8 89.84 7.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -53.67 111.23 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.426 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 11.4 mmm180 -81.13 -48.78 11.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -141.33 176.04 9.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.9 p -74.66 -3.21 29.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -123.79 -15.62 6.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 t -125.9 158.66 34.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.6 mt -148.31 125.27 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.426 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 5.2 tpt -84.18 135.01 34.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 56' ' ' ILE . 3.5 mt -111.56 123.91 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -121.39 115.57 23.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.557 ' CZ3' HD13 ' A' ' 56' ' ' ILE . 36.9 p90 -133.84 154.51 50.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.426 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -110.58 149.94 40.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 110.965 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 146.72 61.43 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.442 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 54.0 Cg_endo -69.81 168.5 21.44 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.324 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.59 153.03 22.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.627 0.727 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -43.7 2.51 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.359 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.29 -43.54 67.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.07 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.7 p -71.33 -41.05 70.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -45.56 103.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -86.79 37.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 141.26 165.61 10.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -66.2 138.76 57.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.9 mt -81.03 137.67 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 37.2 p -104.72 -26.63 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.21 172.84 39.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -119.87 150.34 40.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.917 0.389 . . . . 0.0 110.953 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -110.46 100.85 9.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.557 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 58.6 mt -91.23 110.64 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -117.53 145.34 44.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.546 ' CE1' ' HB ' ' A' ' 68' ' ' THR . 1.5 p90 -146.75 156.6 43.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -139.57 177.6 7.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.41 ' HG2' ' CE1' ' A' ' 90' ' ' TYR . 64.2 mttt -100.08 129.98 46.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.18 -23.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.1 m -94.15 -28.53 15.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -130.11 89.28 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -71.15 -35.65 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 t -56.9 -35.14 68.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -81.1 108.73 15.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.0 t -125.09 151.0 30.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.546 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 71.8 m -113.66 132.32 55.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -92.76 136.0 33.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.5 m -145.28 116.56 7.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.438 ' CD1' ' CD1' ' A' ' 97' ' ' LEU . 46.2 tp -109.6 127.62 54.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.6 m -112.89 -176.66 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m -77.97 163.37 26.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.3 -46.08 74.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 t -82.98 18.71 1.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.724 0.297 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -102.17 116.5 32.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.3 mt -110.99 20.33 17.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.0 p -156.79 138.71 14.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.452 ' HB3' ' CD1' ' A' ' 56' ' ' ILE . 25.5 tp60 -143.47 139.22 29.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.6 tp -105.17 115.25 29.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.6 mm -99.73 104.9 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -100.95 161.17 13.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.61 46.24 1.83 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.7 mt -120.39 173.31 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.39 153.33 28.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -72.64 160.72 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.46 55.82 5.82 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 87.7 m -151.93 133.22 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 0.0 111.145 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -81.72 143.5 31.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.41 ' CE1' ' HG2' ' A' ' 60' ' ' LYS . 66.2 m-85 -142.94 135.36 27.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -97.61 130.81 44.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -123.27 152.88 40.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.3 ptt85 -152.43 141.53 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.6 t -118.03 139.63 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.49 146.75 46.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.24 147.25 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.438 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 5.0 mt -129.61 143.45 50.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 70.2 p -139.02 178.8 6.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 19.0 tt -61.4 -24.87 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -72.01 -15.65 62.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.76 -120.57 1.96 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.425 HG23 ' CD2' ' A' ' 97' ' ' LEU . 16.8 p -113.61 173.0 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 111.149 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -128.16 -175.95 14.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.403 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.5 Cg_endo -69.79 164.25 35.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.234 . . . . 0.0 112.364 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.06 148.15 41.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 60.4 p -76.28 152.38 36.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -44.14 168.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -86.07 97.8 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.5 tp -92.93 118.83 31.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 97.0 p -92.01 135.08 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -130.97 129.18 41.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -99.26 117.91 34.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.2 p -63.95 170.78 3.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -85.48 126.04 33.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -48.7 -24.26 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.838 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.613 0.72 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.41 57.05 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 2.264 . . . . 0.0 112.323 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -125.62 24.69 7.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.34 126.54 54.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.8 154.45 38.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.415 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.8 Cg_endo -69.76 145.58 57.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.652 2.234 . . . . 0.0 112.364 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -112.12 -176.35 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 53.39 37.88 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.7 tp -70.56 151.6 44.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 m -169.66 162.45 9.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.4 mt -132.98 103.6 6.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -88.39 87.69 7.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.505 HG11 ' CE2' ' A' ' 114' ' ' PHE . 62.0 t -55.8 92.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -64.93 -51.3 62.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -130.73 -175.82 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.2 p -79.57 -21.14 45.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.13 -2.09 14.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.8 t -126.73 157.15 39.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.412 HD13 ' CZ ' ' A' ' 92' ' ' PHE . 74.8 mt -152.3 120.72 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.1 tpp -89.05 133.17 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.407 ' CD1' HG23 ' A' ' 56' ' ' ILE . 14.5 mt -105.77 134.16 48.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -125.5 114.89 19.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.569 ' CH2' HD13 ' A' ' 56' ' ' ILE . 39.6 p90 -131.66 165.71 23.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 -126.51 151.88 73.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 143.45 50.83 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 171.02 15.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.46 152.21 56.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 111.043 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -38.6 7.58 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.52 -34.77 74.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 47' ' ' GLN . 82.8 p -80.55 -47.03 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' THR . 36.6 mt-30 -38.52 146.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -121.26 37.91 4.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.83 -163.34 26.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.532 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -93.68 131.92 38.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.729 0.3 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.6 mt -75.75 123.58 32.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.7 p -94.39 -43.46 8.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.83 -179.56 32.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.544 ' CD1' ' HA ' ' A' ' 96' ' ' ALA . 49.9 m-85 -131.84 124.5 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.965 0.412 . . . . 0.0 110.882 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -88.25 103.23 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.569 HD13 ' CH2' ' A' ' 39' ' ' TRP . 74.8 mt -103.22 112.7 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -114.11 156.16 24.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.423 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 40.4 p90 -157.3 144.54 18.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -132.87 167.48 20.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -85.48 126.7 34.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.2 -34.86 2.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.6 p -83.96 -45.18 13.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.0 tpt85 -110.58 92.62 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -71.54 -50.5 30.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.4 t -42.43 -31.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -83.21 104.61 13.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.7 t -128.66 145.41 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.8 m -120.72 132.32 55.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -95.68 137.1 35.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 78.9 m -130.57 125.1 33.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.54 130.01 52.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.5 m -124.86 179.31 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.9 t -85.42 157.23 20.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.89 -58.63 12.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -61.91 -14.24 32.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 0.0 111.145 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.489 ' NE2' ' OE1' ' A' ' 79' ' ' GLN . 28.9 tt0 -77.99 113.69 16.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.0 mt -104.88 13.11 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.4 p -141.02 157.69 44.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.489 ' OE1' ' NE2' ' A' ' 76' ' ' GLN . 34.9 tp60 -163.32 129.12 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.8 tp -98.26 118.06 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 50.2 mm -99.7 104.85 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -99.2 168.01 10.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.43 41.78 4.72 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 mt -119.49 161.1 21.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.1 142.11 30.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -66.61 158.76 29.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.78 56.35 11.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.536 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.5 m -156.29 137.6 13.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.712 0.292 . . . . 0.0 111.132 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -81.09 143.38 32.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -140.9 136.41 32.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -97.86 142.33 29.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 77.6 m-85 -134.97 157.65 46.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.488 ' CD ' ' CH2' ' A' ' 108' ' ' TRP . 8.4 ptm180 -155.55 127.71 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 86.7 t -104.36 134.13 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.78 137.57 41.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.544 ' HA ' ' CD1' ' A' ' 54' ' ' TYR . . . -83.1 149.73 26.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.45 ' CD2' HG21 ' A' ' 102' ' ' THR . 11.8 mt -121.71 146.14 47.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -141.86 169.85 16.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.4 tt -58.9 -22.21 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -76.92 -10.05 59.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.97 -122.62 3.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.45 HG21 ' CD2' ' A' ' 97' ' ' LEU . 30.9 p -109.56 161.02 15.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.83 0.348 . . . . 0.0 111.117 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -115.45 -174.38 17.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 152.75 69.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.09 137.27 52.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.415 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 69.5 p -62.44 157.67 19.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -51.26 169.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.488 ' CH2' ' CD ' ' A' ' 93' ' ' ARG . 31.6 m95 -79.07 92.4 5.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.2 tp -86.36 113.41 22.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.7 p -92.76 143.42 26.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -139.32 136.6 35.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -98.56 118.26 34.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.58 157.36 38.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.505 ' CE2' HG11 ' A' ' 29' ' ' VAL . 62.7 m-85 -67.25 122.9 18.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -49.07 -25.2 1.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.758 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 121.578 0.704 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HA ' ' ND2' ' A' ' 48' ' ' ASN . 53.8 Cg_endo -69.75 164.28 35.11 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.744 2.296 . . . . 0.0 112.33 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 t -131.22 20.46 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.422 ' C ' ' HG3' ' A' ' 104' ' ' PRO . . . -109.46 130.22 55.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.72 161.69 22.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.557 0.694 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 133.11 24.75 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.457 ' NE2' ' HA ' ' A' ' 42' ' ' PRO . 2.1 mp0 -99.49 175.32 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 59.25 38.52 23.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 tp -69.06 152.31 45.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -171.06 162.71 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 mt -133.52 101.19 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 30' ' ' ARG . 24.6 tp10 -84.07 93.28 8.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.41 80.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' GLU . 20.5 mmm180 -52.28 -51.58 57.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.406 ' ND2' ' OG ' ' A' ' 34' ' ' SER . 54.7 m-20 -138.64 178.91 6.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.2 p -72.97 -22.93 60.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.09 8.36 15.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.406 ' OG ' ' ND2' ' A' ' 31' ' ' ASN . 27.9 p -143.75 129.7 19.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.8 mt -128.15 114.99 36.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.454 ' SD ' ' CE1' ' A' ' 38' ' ' HIS . 5.2 ttm -80.53 146.87 31.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mt -116.69 127.92 74.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.454 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 95.1 m-70 -120.09 115.24 23.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.551 ' CZ3' HD13 ' A' ' 56' ' ' ILE . 33.1 p90 -135.17 158.84 43.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.446 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -117.83 154.3 51.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.634 0.73 . . . . 0.0 110.878 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 144.36 54.01 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.729 2.286 . . . . 0.0 112.315 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.457 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.82 165.16 31.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.75 152.76 34.92 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.582 0.706 . . . . 0.0 111.11 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -46.16 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.385 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.14 -16.33 12.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.1 p -100.86 -18.22 16.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -73.1 114.81 11.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' A' ' 18' ' ' PRO . 9.0 m-20 -87.67 28.93 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 151.14 -171.2 30.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -87.09 137.98 31.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.5 mt -80.01 131.92 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.9 p -102.68 -25.25 13.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.55 170.41 39.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.53 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -120.18 133.55 55.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.941 0.401 . . . . 0.0 110.877 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -95.86 102.41 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.551 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 54.8 mt -97.7 127.26 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.5 mtp85 -126.12 147.41 49.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.561 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 52.8 p90 -147.37 142.33 26.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.535 ' NH2' ' CE2' ' A' ' 108' ' ' TRP . 22.7 ptt180 -140.27 177.56 7.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -93.71 135.12 35.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.45 -43.1 16.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -79.53 -52.21 8.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -99.26 84.6 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -73.88 -39.39 63.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 m -43.16 -54.64 4.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -68.13 107.33 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -124.99 152.03 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 49.8 m -114.05 144.88 42.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -108.34 119.71 40.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 m -131.3 103.04 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 72' ' ' VAL . 1.2 tt -100.41 130.04 46.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.489 ' CG1' ' OE1' ' A' ' 79' ' ' GLN . 5.9 m -110.95 179.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 t -69.48 163.69 24.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.77 -39.39 93.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -85.06 1.8 46.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.755 0.312 . . . . 0.0 111.169 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.445 ' NE2' HG11 ' A' ' 72' ' ' VAL . 30.6 tt0 -86.66 117.71 25.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.2 mt -113.55 24.94 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.1 p -158.7 148.58 19.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.816 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.489 ' OE1' ' CG1' ' A' ' 72' ' ' VAL . 51.0 tp60 -150.97 155.08 38.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.451 ' N ' ' HG3' ' A' ' 79' ' ' GLN . 26.7 tp -121.06 113.61 20.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.543 HG22 ' CE1' ' A' ' 58' ' ' TYR . 14.1 mm -95.63 93.44 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -91.49 155.08 18.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.61 48.12 2.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.466 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 27.2 mt -115.8 -177.05 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -117.89 140.03 50.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -66.26 163.77 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.59 56.57 2.0 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 76.6 m -154.56 126.38 7.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.105 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -65.21 141.79 58.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.466 ' CE2' ' HB3' ' A' ' 84' ' ' LEU . 36.7 m-85 -138.45 135.5 35.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -97.73 150.49 21.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 74.2 m-85 -148.85 145.89 27.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -148.25 135.98 20.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.7 t -113.11 133.89 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.33 147.35 52.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.95 147.62 22.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.8 mt -125.43 136.69 53.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.4 p -137.34 175.5 9.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.5 tt -59.73 -23.01 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -73.94 -14.62 61.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 132.3 -125.23 4.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.36 154.21 20.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -109.43 -166.76 20.25 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.422 ' HG3' ' C ' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.8 168.47 21.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.234 . . . . 0.0 112.337 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -127.35 135.8 51.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 50.3 p -65.33 147.91 52.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.46 138.65 39.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.535 ' CE2' ' NH2' ' A' ' 59' ' ' ARG . 49.3 m95 -52.17 106.33 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.3 tp -101.28 116.84 33.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.8 m -89.78 142.77 27.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -137.07 138.63 40.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -104.32 118.09 35.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.2 p -69.72 165.65 20.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 116' ' ' SER . 63.8 m-85 -77.01 126.27 30.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -41.91 -24.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 114' ' ' PHE . 2.1 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.642 0.734 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 155.46 66.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -120.87 12.76 11.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.452 ' C ' ' CG ' ' A' ' 104' ' ' PRO . . . -105.28 127.88 53.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.2 162.81 18.49 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 111.094 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.43 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.8 Cg_endo -69.76 142.85 49.05 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -108.89 178.49 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 58.6 34.37 23.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.431 HD22 ' CB ' ' A' ' 106' ' ' THR . 59.0 tp -65.2 152.72 42.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -171.38 162.92 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.453 ' CD2' HG21 ' A' ' 37' ' ' ILE . 26.7 mt -133.72 98.96 4.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' MET . 8.6 tp10 -83.53 90.35 7.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.7 t -57.21 84.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 28' ' ' GLU . 48.3 mmm-85 -53.53 -50.08 66.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -141.1 -175.65 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.8 m -78.66 -7.85 58.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -128.93 4.51 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.2 p -141.63 125.08 16.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.9 mt -122.61 121.09 62.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.5 ttm -88.96 139.75 30.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.453 HG21 ' CD2' ' A' ' 27' ' ' LEU . 4.1 mt -111.47 131.98 61.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -123.62 118.64 27.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.465 ' CZ3' HD13 ' A' ' 56' ' ' ILE . 39.1 p90 -136.85 168.94 18.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -128.31 153.21 78.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.59 0.71 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.437 ' HD3' ' CD1' ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.76 144.28 53.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 163.48 38.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.35 152.5 23.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -40.57 5.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.08 -47.55 74.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 47' ' ' GLN . 25.4 p -68.58 -51.81 38.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' THR . 39.7 mt-30 -36.74 133.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -103.09 33.53 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 146.52 -153.78 25.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -99.12 150.69 21.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.322 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.2 mt -96.87 133.89 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.9 p -104.55 -35.12 7.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.06 176.8 45.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -123.7 157.3 34.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.911 0.386 . . . . 0.0 110.953 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -116.24 104.89 11.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.465 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 82.9 mt -97.88 104.19 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -111.63 136.37 50.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.482 ' CZ ' ' HB ' ' A' ' 68' ' ' THR . 21.9 p90 -135.08 144.74 47.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -134.02 178.88 6.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -101.36 135.9 42.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.32 -58.33 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.1 t -57.69 -56.27 24.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -99.0 89.95 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.87 42.94 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 m -130.74 -33.38 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -88.65 99.62 12.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.71 135.01 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.482 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 84.7 m -106.43 141.06 38.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.19 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -98.99 136.3 39.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.2 m -131.06 119.3 21.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.82 139.05 35.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.437 HG11 ' NE2' ' A' ' 79' ' ' GLN . 31.0 m -129.87 172.81 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.9 t -75.51 153.96 37.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.52 -44.99 97.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.6 t -79.48 4.79 14.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.73 0.3 . . . . 0.0 111.135 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -97.51 109.65 22.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.437 ' CD1' ' HD3' ' A' ' 41' ' ' PRO . 77.1 mt -103.34 18.83 20.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.9 p -148.39 143.0 26.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 80' ' ' LEU . 3.9 tp-100 -146.83 156.2 42.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.444 ' N ' ' HG3' ' A' ' 79' ' ' GLN . 27.4 tp -123.86 110.22 14.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.6 mm -95.39 107.57 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -103.3 162.64 12.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.34 43.66 3.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mt -122.77 160.45 25.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -93.22 151.03 20.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.1 165.82 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.1 50.41 4.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.7 m -146.44 132.17 18.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -75.75 145.24 40.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -142.7 143.27 32.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -100.13 144.89 28.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.443 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 75.7 m-85 -141.29 142.99 33.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.434 ' HD2' ' CZ2' ' A' ' 108' ' ' TRP . 11.3 ptm180 -145.41 124.68 12.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 94.8 t -103.38 134.72 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.75 151.78 51.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.04 142.88 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.8 mt -118.55 129.81 55.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.0 p -129.3 178.12 6.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.7 tt -61.58 -22.23 27.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -75.18 -13.6 60.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 130.5 -120.54 3.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.74 147.05 29.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.351 . . . . 0.0 111.078 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -105.89 -172.91 23.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.484 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.452 ' CG ' ' C ' ' A' ' 20' ' ' ALA . 54.4 Cg_endo -69.76 158.26 57.57 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.243 . . . . 0.0 112.366 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.72 142.15 48.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.431 ' CB ' HD22 ' A' ' 25' ' ' LEU . 63.9 p -65.24 147.14 53.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.83 134.23 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.434 ' CZ2' ' HD2' ' A' ' 93' ' ' ARG . 45.3 m95 -45.8 109.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.9 tp -102.85 113.5 26.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.2 m -84.52 147.46 27.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.1 131.58 18.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -101.49 113.86 27.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.24 169.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.44 ' O ' ' N ' ' A' ' 116' ' ' SER . 7.7 m-85 -76.7 118.4 19.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -41.96 -24.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 114' ' ' PHE . 4.8 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.639 0.733 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 148.39 65.24 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 t -125.47 48.12 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.471 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -136.31 131.93 35.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.95 155.49 43.21 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.559 0.695 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 135.77 31.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -101.84 176.09 5.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 59.76 35.66 22.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.6 tp -63.62 140.43 58.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.0 m -156.66 161.78 39.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 mt -135.35 105.65 6.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' ARG . 25.4 tp10 -91.11 79.95 5.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.0 t -45.61 92.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' GLU . 47.8 mmm-85 -61.62 -54.78 38.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -137.17 -177.42 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.8 p -72.0 -26.31 62.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -113.8 8.05 17.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.2 p -138.43 131.15 29.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.4 mt -130.65 111.99 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.5 ttm -83.66 130.17 34.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.834 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.471 ' CD1' HG23 ' A' ' 56' ' ' ILE . 5.0 mt -104.49 130.64 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.092 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -125.56 116.63 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 39.0 p90 -133.06 168.81 17.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -118.51 147.61 42.32 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.458 ' HD3' ' CD1' ' A' ' 77' ' ' LEU . 54.2 Cg_endo -69.75 144.96 55.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 171.15 15.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.721 2.281 . . . . 0.0 112.311 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.72 148.47 26.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.611 0.719 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -8.77 24.44 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.22 -25.76 15.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' ASN . 22.0 p -92.37 -32.76 14.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 46' ' ' THR . 46.6 mt-30 -33.15 -35.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 46' ' ' THR . 20.0 t-20 63.48 25.71 14.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.32 172.24 13.06 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -64.49 145.06 56.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.311 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.5 mt -91.39 128.45 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.9 p -91.95 -34.68 14.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.413 ' HA2' ' C ' ' A' ' 73' ' ' SER . . . -176.55 159.01 25.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -106.87 124.69 49.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.947 0.403 . . . . 0.0 110.928 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -90.14 113.86 25.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.471 HG23 ' CD1' ' A' ' 37' ' ' ILE . 69.0 mt -101.09 107.47 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -107.97 141.7 39.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.437 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 16.8 p90 -149.19 152.25 35.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.54 ' NH2' ' CD1' ' A' ' 108' ' ' TRP . 17.0 ptt180 -140.62 179.08 6.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -92.21 137.14 32.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.43 -23.4 9.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.7 t -90.83 -41.31 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -119.75 109.7 15.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.838 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' SER . 0.9 OUTLIER -88.69 -50.19 6.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LYS . 89.4 p -37.14 -42.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -80.57 110.19 15.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.9 t -124.44 151.79 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.6 m -122.91 128.75 50.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.416 ' CD ' ' C ' ' A' ' 69' ' ' GLU . 4.4 tm-20 -86.52 140.91 29.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.7 m -147.78 105.17 3.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.459 ' CD2' HD12 ' A' ' 97' ' ' LEU . 13.3 mt -92.82 162.91 13.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.454 ' CG1' ' OE1' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -130.32 -77.42 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.413 ' C ' ' HA2' ' A' ' 53' ' ' GLY . 0.9 OUTLIER -172.55 169.06 5.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.76 -47.37 83.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -102.83 35.04 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 0.0 111.168 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.442 ' NE2' HG11 ' A' ' 72' ' ' VAL . 18.5 tt0 -111.47 114.23 27.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.458 ' CD1' ' HD3' ' A' ' 41' ' ' PRO . 21.1 mt -108.76 27.12 9.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.2 p -153.07 155.15 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.454 ' OE1' ' CG1' ' A' ' 72' ' ' VAL . 33.8 tp60 -164.16 154.2 14.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.9 tp -122.23 112.55 18.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 28.6 mm -96.98 98.48 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -95.13 168.81 10.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.0 40.96 7.32 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mt -114.07 171.53 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.43 155.65 18.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -80.97 160.1 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 43.64 52.53 6.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.9 m -146.31 120.71 9.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.099 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -65.11 143.4 57.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -142.98 135.02 27.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.409 ' HB3' ' CE3' ' A' ' 108' ' ' TRP . 1.5 m-80 -97.9 129.49 44.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.437 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 97.6 m-85 -124.16 152.83 42.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.566 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 7.3 ptp180 -153.54 134.59 13.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.808 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.0 t -103.69 141.3 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.54 147.74 39.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.38 150.26 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.459 HD12 ' CD2' ' A' ' 71' ' ' LEU . 10.3 mt -130.04 142.85 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.41 HG22 ' C ' ' A' ' 97' ' ' LEU . 67.2 p -140.64 176.19 8.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.7 tp -54.99 -35.93 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -60.33 -20.53 59.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.31 -118.45 1.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.441 HG21 ' CD2' ' A' ' 97' ' ' LEU . 21.9 p -110.28 164.53 12.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 111.17 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -119.36 -174.88 15.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.471 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.7 Cg_endo -69.8 169.34 19.2 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.697 2.264 . . . . 0.0 112.306 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.99 147.71 50.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.057 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 69.4 p -76.71 161.27 28.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -51.12 169.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.566 ' CZ3' ' HG2' ' A' ' 93' ' ' ARG . 24.9 m95 -87.15 95.43 9.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.5 tp -86.79 117.55 25.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.5 p -88.19 133.63 33.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -133.06 130.91 39.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -104.84 116.64 32.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.67 167.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -79.67 121.37 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -42.58 -30.45 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.817 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.634 0.73 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 84.13 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.7 p -72.09 69.39 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.401 ' CB ' ' HB ' ' A' ' 46' ' ' THR . . . -169.69 115.43 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.469 ' CB ' ' HD2' ' A' ' 22' ' ' PRO . . . -92.97 168.86 11.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.568 0.699 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HD2' ' CB ' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.68 151.57 69.54 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.731 2.287 . . . . 0.0 112.343 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -116.5 177.29 4.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 57.56 28.31 15.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.2 tp -58.11 147.24 30.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.0 m -162.34 162.3 27.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.9 mt -134.8 99.4 4.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -85.1 87.31 7.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.6 t -52.41 108.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.461 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 3.3 mmp_? -78.47 -54.34 6.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -138.38 173.11 11.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.5 p -67.97 -14.98 63.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -120.43 8.21 10.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -147.92 139.26 23.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.4 mt -134.3 122.33 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.461 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 6.1 tpt -84.15 131.91 34.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.461 ' CD1' HG23 ' A' ' 56' ' ' ILE . 2.9 mt -103.94 140.01 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.413 ' NE2' ' HG2' ' A' ' 36' ' ' MET . 90.1 m-70 -134.97 115.2 13.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.51 ' CH2' HD11 ' A' ' 56' ' ' ILE . 28.8 p90 -135.42 155.94 49.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -116.08 152.7 48.01 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.586 0.707 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 145.45 57.56 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 168.24 22.18 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.701 2.267 . . . . 0.0 112.38 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.84 152.55 48.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.579 0.704 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -38.76 7.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.68 -39.74 71.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.401 ' HB ' ' CB ' ' A' ' 20' ' ' ALA . 6.7 p -76.46 -50.34 14.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -48.96 107.38 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.08 33.6 3.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.62 172.83 45.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.448 ' OE1' ' C ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -89.91 117.8 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.331 . . . . 0.0 110.914 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.496 HG22 ' CZ ' ' A' ' 54' ' ' TYR . 89.1 mt -68.16 114.52 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.5 p -94.63 -23.07 17.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.32 166.83 32.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.496 ' CZ ' HG22 ' A' ' 51' ' ' ILE . 45.0 m-85 -117.5 159.78 22.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.947 0.404 . . . . 0.0 110.928 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.405 ' HD2' ' CD2' ' A' ' 97' ' ' LEU . 24.9 mttp -120.8 118.3 29.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.51 HD11 ' CH2' ' A' ' 39' ' ' TRP . 29.4 mt -104.35 106.01 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -104.3 130.86 52.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.444 ' CE1' ' HB ' ' A' ' 68' ' ' THR . 7.7 p90 -136.39 153.79 51.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.622 ' NH2' ' CD1' ' A' ' 108' ' ' TRP . 23.5 ptt180 -143.96 175.86 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' ALA . 34.4 mttp -101.49 125.15 48.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' LYS . . . -37.66 -42.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.2 t -73.02 -55.77 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -106.76 82.32 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -73.1 -46.1 53.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.964 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -38.58 -41.25 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -83.29 111.38 18.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 68' ' ' THR . 11.1 t -124.15 153.75 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.444 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 10.0 m -119.11 146.35 45.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.168 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -106.58 140.15 39.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.8 m -143.06 107.74 4.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.3 tp -92.42 146.94 23.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.9 m -129.9 -179.17 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 t -75.31 152.38 38.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.46 -27.57 66.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -97.2 14.28 26.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 111.149 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -96.6 125.48 41.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.2 mt -113.25 7.91 17.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.5 m -155.95 152.63 28.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -148.93 150.81 33.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.1 tp -111.24 122.08 46.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.6 mm -103.73 97.2 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -88.04 160.33 17.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.84 47.49 3.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.1 mt -116.31 171.51 7.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.746 0.308 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -105.47 160.08 15.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -85.8 158.68 19.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.8 56.83 3.6 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.427 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.4 m -149.72 134.72 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.722 0.296 . . . . 0.0 111.15 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -73.66 136.6 43.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.454 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . 47.0 m-85 -134.89 132.21 38.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -96.9 141.67 29.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.454 ' CE1' ' HB3' ' A' ' 90' ' ' TYR . 71.0 m-85 -139.72 152.04 46.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.474 ' HD3' ' CZ2' ' A' ' 108' ' ' TRP . 12.3 ptt180 -155.81 130.73 9.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.0 t -105.47 137.17 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.38 140.05 48.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.23 148.0 24.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.405 ' CD2' ' HD2' ' A' ' 55' ' ' LYS . 5.7 mt -128.22 142.4 51.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.5 p -142.13 170.5 15.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.7 tt -54.95 -29.77 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.159 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -65.41 -20.41 66.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 143.53 -110.83 0.61 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.471 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.1 p -121.65 178.22 4.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -134.02 -177.92 15.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.466 ' HG2' ' CA ' ' A' ' 21' ' ' ALA . 53.8 Cg_endo -69.75 159.72 52.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.41 139.95 49.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.069 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.463 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 73.2 p -68.86 134.36 49.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.3 OUTLIER -36.34 142.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.622 ' CD1' ' NH2' ' A' ' 59' ' ' ARG . 67.2 m95 -56.65 98.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.5 tp -89.09 116.22 27.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.8 p -90.73 147.88 22.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.37 129.15 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -97.99 113.94 25.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 p -58.32 178.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -87.69 125.18 34.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -45.65 -31.54 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.785 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.657 0.741 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 81.19 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.25 . . . . 0.0 112.336 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 t -71.45 69.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -174.54 121.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.072 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' N ' ' HG2' ' A' ' 104' ' ' PRO . . . -89.51 163.55 32.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.523 0.678 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.7 Cg_endo -69.8 142.48 47.89 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.642 2.228 . . . . 0.0 112.364 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 42' ' ' PRO . 2.5 mp0 -103.71 177.54 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 54.63 45.73 26.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.4 tp -74.03 148.99 41.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.7 m -162.78 159.97 24.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.413 ' HG ' ' CD2' ' A' ' 109' ' ' LEU . 19.4 mt -131.14 96.63 4.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -82.1 91.91 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.485 HG12 ' CE2' ' A' ' 114' ' ' PHE . 22.5 t -62.61 95.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 mmm-85 -70.32 -47.35 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.9 169.44 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 m -69.62 -10.66 59.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -114.88 -12.02 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.0 t -125.32 156.25 38.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.0 mt -151.51 108.47 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.9 tpp -77.91 141.43 39.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.1 mt -117.43 120.59 65.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -112.55 116.39 30.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.441 ' CG ' HG13 ' A' ' 94' ' ' VAL . 34.1 p90 -133.4 154.86 50.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -110.52 152.6 43.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.712 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 144.64 54.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.419 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 54.5 Cg_endo -69.69 170.97 15.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.403 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.08 152.18 22.75 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.553 0.692 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -29.83 22.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.299 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.78 -14.44 61.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.1 p -118.39 45.05 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -121.02 -27.89 4.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 38.65 32.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.37 -171.1 28.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -101.12 144.63 29.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 80.2 mt -81.17 131.02 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.3 p -95.84 -34.22 11.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.0 162.57 33.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -108.78 138.38 45.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.934 0.397 . . . . 0.0 110.886 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.488 ' CE ' ' CD ' ' A' ' 69' ' ' GLU . 23.6 tttt -100.76 99.23 9.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.408 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 37.1 mt -93.2 111.93 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -112.36 136.32 51.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -135.45 143.83 46.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.412 ' NH1' ' OD1' ' A' ' 91' ' ' ASN . 18.3 ptt85 -132.24 174.76 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -103.14 124.9 49.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.43 -46.71 13.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.1 t -65.49 -54.56 26.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -108.16 63.91 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -39.78 -49.28 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.1 m -45.28 -41.11 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.96 94.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.807 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.6 p -129.08 142.16 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.3 m -116.62 141.24 48.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.488 ' CD ' ' CE ' ' A' ' 55' ' ' LYS . 11.7 tt0 -99.88 133.25 44.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.3 m -128.62 127.34 42.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.5 tp -107.4 146.74 31.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.1 m -138.05 179.63 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.176 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 m -73.59 166.73 22.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -77.19 -40.55 24.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.2 t -80.79 -1.84 44.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.722 0.296 . . . . 0.0 111.173 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.452 ' NE2' ' OE1' ' A' ' 79' ' ' GLN . 30.6 tt0 -90.84 113.43 25.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.8 mt -102.79 12.72 35.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.443 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 96.6 p -142.26 153.54 44.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.452 ' OE1' ' NE2' ' A' ' 76' ' ' GLN . 40.0 tp60 -157.32 140.31 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.9 tp -107.99 117.82 35.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.2 mm -101.66 102.38 13.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -95.01 166.66 11.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.81 51.14 3.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.1 mt -117.42 171.26 8.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -108.11 129.87 55.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -57.69 157.29 7.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.25 51.55 7.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.2 m -145.3 124.48 12.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.758 0.313 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -69.34 128.55 36.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -127.64 134.8 49.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.983 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.488 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -99.22 147.82 24.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 91' ' ' ASN . 5.3 m-85 -142.69 154.87 44.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.563 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 8.4 ptm180 -150.5 125.21 9.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.441 HG13 ' CG ' ' A' ' 39' ' ' TRP . 97.1 t -103.19 133.71 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.63 142.2 45.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -87.53 139.77 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.404 ' C ' HG21 ' A' ' 98' ' ' THR . 6.2 mt -121.43 140.2 52.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.404 HG21 ' C ' ' A' ' 97' ' ' LEU . 43.6 p -138.95 173.67 11.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 tt -56.55 -32.36 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.09 -17.54 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.76 -133.03 5.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 36.3 p -109.2 168.94 9.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.346 . . . . 0.0 111.185 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -123.07 179.0 16.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.451 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.75 151.0 69.02 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.313 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.39 130.11 55.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 75.3 p -50.13 165.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.21 169.82 0.78 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.563 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 29.3 m95 -80.07 91.46 5.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.413 ' CD2' ' HG ' ' A' ' 27' ' ' LEU . 8.9 tp -85.97 111.77 20.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.1 m -90.45 138.62 31.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -134.76 130.92 36.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -98.14 113.04 24.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.24 166.18 3.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.485 ' CE2' HG12 ' A' ' 29' ' ' VAL . 66.5 m-85 -75.9 126.35 30.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -46.55 -23.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.766 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.1 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 146.62 61.07 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.268 . . . . 0.0 112.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.3 m -124.19 47.27 2.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.447 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -151.01 113.97 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.88 163.95 51.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.705 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 133.65 25.96 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -97.24 -175.33 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 52.86 38.84 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.7 tp -73.14 153.55 40.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -170.47 161.85 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.3 mt -131.29 98.16 4.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -85.29 84.51 7.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.9 t -52.55 94.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -65.11 -48.74 72.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -138.97 -175.65 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.8 p -76.81 -34.13 57.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.8 14.73 31.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.1 t -146.97 153.39 40.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.9 mt -149.8 110.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.457 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 3.3 ttm -78.33 143.79 36.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.2 mt -118.5 133.48 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.457 ' CD2' ' HG2' ' A' ' 36' ' ' MET . 90.7 m-70 -126.16 118.0 24.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.571 ' CZ3' HD12 ' A' ' 56' ' ' ILE . 41.3 p90 -131.98 176.65 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -134.88 152.11 76.82 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 140.69 43.28 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 170.96 15.3 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.277 . . . . 0.0 112.382 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.1 152.22 15.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.582 0.706 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -29.53 23.68 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.31 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.17 -30.69 65.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.1 p -100.13 39.28 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -110.48 -51.62 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 63.06 35.56 12.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 145.72 -173.95 25.88 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -101.14 137.74 39.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.1 mt -74.84 142.52 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.5 p -112.34 -42.7 3.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.11 166.68 38.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -111.9 148.59 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 0.0 110.967 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -114.32 91.73 3.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.571 HD12 ' CZ3' ' A' ' 39' ' ' TRP . 58.7 mt -85.96 121.34 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -121.08 136.81 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.568 ' CE1' ' HB ' ' A' ' 68' ' ' THR . 11.7 p90 -137.3 147.83 45.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -141.25 163.19 33.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -79.6 141.73 36.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.2 13.52 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.2 m -120.56 -31.58 4.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.0 ttt85 -105.26 -32.87 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 40.45 36.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -134.34 -38.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -88.75 113.31 24.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.4 t -121.33 143.12 34.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.568 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 34.6 m -115.07 140.92 48.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' N ' HG23 ' A' ' 68' ' ' THR . 8.6 tm-20 -98.57 131.49 44.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.0 m -126.39 110.28 13.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.493 HD11 ' N ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -95.53 129.56 42.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.493 ' N ' HD11 ' A' ' 71' ' ' LEU . 30.5 m -125.5 176.65 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.6 t -75.58 156.28 35.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.51 -58.39 14.59 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t -58.84 -32.1 69.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.723 0.297 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -60.78 114.87 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.402 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 77.9 mt -106.01 25.48 10.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.562 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 48.0 m -158.65 164.16 36.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -162.19 141.65 9.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 tp -102.76 110.25 22.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.5 mm -90.18 98.5 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -96.03 165.66 12.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.82 44.39 4.52 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.1 mt -119.3 172.5 7.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -109.66 155.98 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.0 ptt85 -79.09 158.17 27.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.06 53.51 18.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.6 m -150.19 129.12 12.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.762 0.315 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.417 ' CG ' ' OG ' ' A' ' 110' ' ' SER . 31.7 tt0 -75.5 138.85 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -137.36 149.73 47.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -111.03 145.03 39.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.53 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 76.8 m-85 -139.48 153.47 47.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.476 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 4.6 ptm85 -156.86 130.08 7.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 94.6 t -102.82 148.24 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.7 140.5 27.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.048 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.2 146.93 23.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.3 mt -123.78 137.93 54.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 47.8 p -137.14 170.28 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.0 tt -56.98 -19.32 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -72.66 -15.11 61.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 134.64 -104.28 0.51 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 m -128.92 151.0 50.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 111.164 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -107.92 -177.82 22.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.447 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.3 Cg_endo -69.78 166.0 29.09 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.329 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -127.69 125.59 40.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.061 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 77.0 p -46.24 160.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -57.32 177.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.476 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 25.9 m95 -87.18 99.02 11.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.1 tp -97.37 114.03 25.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.417 ' OG ' ' CG ' ' A' ' 89' ' ' GLU . 5.6 t -88.95 154.49 20.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.07 130.0 14.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -98.31 117.08 31.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.9 p -62.35 168.96 3.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 115' ' ' GLU . 70.5 m-85 -81.8 120.96 25.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 114' ' ' PHE . 54.7 mt-10 -37.16 -37.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.79 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.61 0.719 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.5 63.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.268 . . . . 0.0 112.337 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.0 t -117.25 33.64 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.491 ' C ' ' CG ' ' A' ' 104' ' ' PRO . . . -129.09 134.86 48.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.99 163.86 19.82 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.582 0.706 . . . . 0.0 111.099 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.5 Cg_endo -69.76 142.37 47.74 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.268 . . . . 0.0 112.333 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -110.23 -175.53 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 53.78 29.1 9.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.1 tp -59.79 156.13 14.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.0 m -173.02 161.85 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.9 mt -133.79 102.74 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -87.69 87.91 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -53.05 105.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.464 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 10.7 mmm180 -78.59 -45.16 22.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -137.21 -175.7 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.5 p -81.7 -16.18 52.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.37 -10.41 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 p -124.15 142.42 51.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -134.46 129.1 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.464 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 6.1 tpt -89.35 137.74 32.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.448 HD13 ' CG1' ' A' ' 81' ' ' ILE . 4.2 mt -114.38 122.52 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -120.76 120.44 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.424 ' CZ3' ' HA ' ' A' ' 78' ' ' SER . 37.9 p90 -136.43 166.92 22.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -125.31 153.14 72.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 144.35 53.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 170.77 15.77 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.342 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.6 145.01 71.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -31.96 19.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.361 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.02 73.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.6 p -80.31 -45.97 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -39.1 143.97 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -116.75 -16.54 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -163.52 156.25 27.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -55.55 133.93 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.5 mt -78.01 122.38 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.0 p -92.39 -29.83 16.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -179.41 169.93 41.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.437 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.465 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 41.6 m-85 -116.26 144.61 44.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 110.913 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -107.38 99.55 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 79' ' ' GLN . 47.7 mt -93.9 116.7 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 69' ' ' GLU . 29.3 mtt-85 -120.47 146.48 46.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.522 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 1.8 p90 -147.37 157.14 43.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -142.49 178.98 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -99.61 131.63 45.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.53 -48.92 38.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.0 t -69.08 -39.38 79.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -125.68 84.3 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' SER . 1.8 mptp? -64.34 -46.86 81.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' LYS . 3.5 m -34.69 -52.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -67.48 107.29 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.1 t -128.05 142.48 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.413 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 54.2 m -112.12 124.7 52.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 57' ' ' ARG . 4.3 tm-20 -89.83 129.13 36.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.4 m -127.82 128.1 44.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.4 tp -107.81 141.5 39.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 54' ' ' TYR . 9.3 m -127.73 -178.38 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 m -84.08 158.55 21.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.06 -52.48 47.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.9 t -68.16 -5.89 20.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 111.165 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -87.12 119.42 27.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.3 mt -107.7 13.66 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.424 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 18.2 m -152.62 152.72 32.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 56' ' ' ILE . 16.6 tp60 -151.87 140.26 20.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 tp -100.66 125.53 47.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.448 ' CG1' HD13 ' A' ' 37' ' ' ILE . 12.9 mm -106.83 109.84 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -103.9 167.09 10.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.47 38.0 6.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.2 mt -114.72 167.93 10.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -105.51 159.78 15.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -80.53 165.85 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 39.28 51.62 2.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.1 m -147.81 121.57 9.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 111.141 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -68.45 140.38 55.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -135.91 147.95 48.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.9 134.53 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.522 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 91.1 m-85 -132.13 149.74 52.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.524 ' HD3' ' CZ2' ' A' ' 108' ' ' TRP . 34.0 ptt180 -154.12 132.2 11.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.6 t -106.73 148.24 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.93 143.21 30.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.37 141.56 28.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.2 mt -120.09 132.98 55.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.8 p -133.63 173.03 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 tp -53.47 -34.99 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -61.41 -23.02 65.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.15 -125.91 3.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.17 148.59 25.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.119 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -105.94 -173.05 23.56 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.491 ' CG ' ' C ' ' A' ' 20' ' ' ALA . 54.3 Cg_endo -69.68 163.24 38.94 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -112.55 166.88 10.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 107' ' ' ASP . 62.0 p -96.25 131.59 42.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -33.02 136.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.524 ' CZ2' ' HD3' ' A' ' 93' ' ' ARG . 59.1 m95 -55.61 104.7 0.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.0 tp -100.4 119.14 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 91.2 p -87.93 148.25 24.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.2 128.55 15.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.057 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -100.16 115.37 29.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.7 p -62.26 170.4 2.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -81.36 126.38 31.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -41.81 -35.16 0.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.8 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.579 0.704 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 143.09 49.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.8 t -124.04 43.27 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.407 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -148.66 114.03 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.19 162.85 42.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.623 0.725 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.445 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.8 Cg_endo -69.78 140.0 41.55 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.635 2.224 . . . . 0.0 112.407 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -104.26 -176.09 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 51.3 36.16 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.08 152.55 40.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.2 p -165.35 155.08 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.5 mt -126.99 99.31 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -82.69 88.17 6.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.9 90.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.3 mmm-85 -61.44 -54.57 41.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -132.82 -177.27 4.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 p -74.43 -27.99 60.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -106.76 -6.03 18.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.4 m -124.61 143.82 50.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.7 mt -143.41 117.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.4 tpp -82.69 136.75 34.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.0 mt -111.22 113.57 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -109.4 119.39 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.567 ' CH2' HD11 ' A' ' 56' ' ' ILE . 43.5 p90 -134.17 159.01 42.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 39' ' ' TRP . 1.4 mp0 -114.87 147.47 38.33 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 143.0 49.28 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 171.08 15.14 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.646 2.231 . . . . 0.0 112.391 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.93 154.01 10.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 111.062 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.33 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.15 -47.18 23.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.1 p -59.01 -46.76 87.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -59.73 99.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.4 -15.23 60.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -143.31 -150.94 5.38 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -110.48 145.36 37.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.1 mt -91.19 131.61 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 68.1 p -101.46 -47.02 4.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.96 169.61 32.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.439 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 29.9 m-85 -118.83 127.7 53.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.978 0.418 . . . . 0.0 110.923 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HE3' ' CD ' ' A' ' 69' ' ' GLU . 6.8 tttp -92.0 101.35 13.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.567 HD11 ' CH2' ' A' ' 39' ' ' TRP . 21.4 mt -99.81 115.23 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -115.0 144.09 44.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.567 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 49.2 p90 -140.06 154.76 47.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -147.16 179.49 7.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -90.65 148.77 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.56 -30.92 61.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.7 t -83.4 -55.81 4.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -68.49 -50.67 50.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.1 mttt 49.26 34.77 6.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.4 m -134.12 -36.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -90.39 111.03 22.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.0 t -118.39 138.95 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.436 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 25.4 m -108.4 139.91 42.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.41 ' CD ' ' HE3' ' A' ' 55' ' ' LYS . 30.0 tt0 -92.69 133.85 35.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.7 m -138.52 111.67 7.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.5 tp -98.63 146.23 26.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.439 ' CG2' ' HB2' ' A' ' 54' ' ' TYR . 29.8 m -135.7 178.95 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.8 t -79.68 154.59 28.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.65 -61.11 7.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.434 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 t -61.56 -18.77 60.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.725 0.297 . . . . 0.0 111.122 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -72.96 111.17 7.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.2 mt -104.7 27.01 8.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.7 p -150.63 157.14 42.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -158.79 135.78 9.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 tp -105.34 111.43 24.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.4 mm -95.35 94.09 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -92.76 159.96 15.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.57 45.12 3.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 mt -116.94 -175.46 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -109.97 165.35 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 87' ' ' GLY . 14.9 ptt180 -90.04 163.54 14.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 86' ' ' ARG . . . 34.87 48.38 0.72 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.466 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.467 HG21 ' CE2' ' A' ' 90' ' ' TYR . 62.4 m -139.58 126.56 20.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 111.107 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -71.8 141.19 49.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.467 ' CE2' HG21 ' A' ' 88' ' ' THR . 49.7 m-85 -138.39 146.23 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.454 ' HB3' ' CE3' ' A' ' 108' ' ' TRP . 1.8 m-80 -107.86 134.56 50.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 33.7 m-85 -128.4 162.92 26.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.558 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 11.3 ptm180 -157.04 124.32 5.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.9 t -102.97 134.71 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.86 146.03 50.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.18 136.68 36.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.9 mt -113.38 145.29 41.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 75.6 p -140.62 173.4 11.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.5 tp -51.3 -39.79 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -59.54 -24.55 63.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.96 -123.66 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.2 p -101.54 169.84 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 111.165 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.15 -170.48 12.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.407 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.3 Cg_endo -69.8 168.73 20.75 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.307 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -125.76 158.05 35.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 107' ' ' ASP . 80.9 p -83.23 128.83 34.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.4 OUTLIER -33.96 139.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.558 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 38.8 m95 -49.13 106.26 0.1 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.8 tp -102.13 116.84 33.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 53.7 p -84.06 144.5 29.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.71 128.95 17.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -104.43 118.76 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 p -68.26 172.35 5.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -84.35 115.33 22.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -39.73 -34.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.9 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.803 -179.757 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.614 0.721 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HA ' ' ND2' ' A' ' 48' ' ' ASN . 53.2 Cg_endo -69.8 161.83 44.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.3 t -128.62 16.38 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.444 ' C ' ' CG ' ' A' ' 104' ' ' PRO . . . -108.98 131.33 55.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.096 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.03 161.8 21.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.465 ' CB ' ' O ' ' A' ' 40' ' ' GLN . 54.0 Cg_endo -69.77 142.95 49.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.703 2.268 . . . . 0.0 112.38 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -108.36 177.77 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 62.57 29.3 16.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.0 tp -64.22 149.99 46.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -169.05 156.16 7.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.7 mt -125.51 95.89 4.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ARG . 12.4 tp10 -80.5 86.53 5.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.0 t -51.49 88.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' GLU . 31.3 mmt180 -59.19 -49.06 79.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -143.29 178.52 7.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.8 p -74.08 -6.57 48.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -127.24 -0.74 6.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.1 t -134.51 150.18 50.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.6 mt -146.27 115.82 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.1 tpp -82.88 128.87 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mt -103.02 118.1 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -110.75 116.76 31.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.454 ' CH2' HD11 ' A' ' 56' ' ' ILE . 43.8 p90 -129.97 179.64 5.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.465 ' O ' ' CB ' ' A' ' 22' ' ' PRO . 28.1 mt-30 -147.65 153.59 43.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 143.65 51.58 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.391 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 171.03 15.24 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.329 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.78 153.14 23.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -34.52 14.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.264 . . . . 0.0 112.321 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.36 -32.49 74.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.5 p -79.37 -29.25 42.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -57.5 145.99 31.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' A' ' 18' ' ' PRO . 40.1 m-20 -116.47 -18.97 10.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -151.77 -136.69 2.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.436 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -120.66 128.99 53.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.809 0.337 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.1 mt -76.82 121.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.3 p -101.08 -32.37 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.95 169.33 42.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -117.33 155.94 28.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.409 . . . . 0.0 110.93 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -119.64 105.61 11.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.454 HD11 ' CH2' ' A' ' 39' ' ' TRP . 12.8 mt -97.07 124.49 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -127.45 150.18 49.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.502 ' N ' ' CD1' ' A' ' 58' ' ' TYR . 0.8 OUTLIER -149.88 161.82 41.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -151.27 176.27 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 61' ' ' ALA . 73.1 mttt -98.45 126.61 44.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' LYS . . . -35.54 -53.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.6 m -71.73 -46.09 59.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -104.34 73.39 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -68.6 -42.75 77.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -42.96 -44.76 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.83 109.27 7.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.8 t -125.43 143.48 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.4 m -108.4 135.44 49.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -98.4 122.66 41.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.2 m -127.46 101.24 6.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.454 HD23 ' CD1' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -88.4 126.66 35.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.1 m -115.84 -176.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.7 t -86.9 162.71 17.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.92 -55.66 15.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.0 t -64.11 -11.84 33.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.721 0.296 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -82.84 115.32 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.1 mt -110.69 17.14 20.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.5 p -147.05 147.32 30.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -153.46 142.06 20.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.451 ' CD1' ' HG3' ' A' ' 30' ' ' ARG . 16.2 tp -107.07 125.02 50.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 30.4 mm -107.84 93.66 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.073 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -91.21 161.01 15.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.94 40.46 5.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.4 mt -106.49 -175.6 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.317 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -118.39 140.04 50.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -70.69 160.57 32.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.93 46.22 5.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 45.0 m -143.02 123.92 14.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.308 . . . . 0.0 111.182 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.77 132.71 49.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -128.1 143.18 51.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.469 ' O ' ' CB ' ' A' ' 58' ' ' TYR . 3.3 m120 -103.06 134.71 46.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -132.91 150.57 52.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.445 ' NH2' ' NE1' ' A' ' 108' ' ' TRP . 3.4 ptp180 -156.95 138.05 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 70.0 t -114.68 139.21 41.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.4 141.96 48.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.42 142.02 28.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.454 ' CD1' HD23 ' A' ' 71' ' ' LEU . 5.3 mt -119.22 138.23 53.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 74.2 p -130.91 -179.34 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.1 tp -58.63 -33.95 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -68.36 -20.32 64.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 140.08 -137.4 8.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.426 HG22 ' CD2' ' A' ' 97' ' ' LEU . 45.3 p -89.99 167.57 12.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.152 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -122.38 -169.71 13.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.444 ' CG ' ' C ' ' A' ' 20' ' ' ALA . 54.1 Cg_endo -69.75 163.13 39.4 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.37 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.43 141.68 47.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 68.3 p -70.58 138.19 50.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.59 138.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.445 ' NE1' ' NH2' ' A' ' 93' ' ' ARG . 54.3 m95 -54.0 106.11 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.3 tp -97.26 113.21 24.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 58.8 p -87.25 140.53 29.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -142.18 130.47 22.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -101.48 114.96 29.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.1 p -61.25 172.08 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.198 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 116' ' ' SER . 45.8 m-85 -85.0 123.98 31.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -38.62 -27.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 114' ' ' PHE . 8.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.658 0.742 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.72 67.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.357 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -122.33 35.59 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.472 ' C ' ' CG ' ' A' ' 104' ' ' PRO . . . -124.32 128.27 48.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.9 155.26 43.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.076 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 136.07 32.11 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.698 2.266 . . . . 0.0 112.329 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -104.41 178.97 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 61.77 27.6 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.0 tp -58.23 153.71 14.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -173.36 161.83 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 mt -134.42 103.39 5.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.81 92.02 8.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.509 HG13 ' CE2' ' A' ' 114' ' ' PHE . 45.1 t -59.76 94.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -71.53 -46.8 58.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -138.66 -176.64 4.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.2 p -82.67 -18.78 39.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -114.6 2.84 14.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.6 p -142.72 144.9 32.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.1 mt -140.75 135.15 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.5 tpp -98.81 138.7 35.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.0 mt -111.23 133.88 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -125.9 115.74 20.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.5 p90 -134.04 168.28 19.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -127.91 152.4 77.22 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.578 0.704 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 143.21 49.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.732 2.288 . . . . 0.0 112.281 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 166.74 26.57 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.629 2.219 . . . . 0.0 112.353 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.45 153.31 20.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -29.54 23.79 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.8 -39.61 73.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 p -69.99 -40.07 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -51.39 151.52 2.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -125.46 31.15 5.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.0 -171.69 28.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.529 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -83.47 136.06 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.8 mt -80.35 140.89 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.9 p -109.24 -27.22 9.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.72 169.63 36.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -114.07 157.9 21.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.976 0.417 . . . . 0.0 110.916 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -116.96 97.98 6.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.5 mt -92.99 102.19 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.163 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -112.07 127.14 55.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.558 ' CE1' HG21 ' A' ' 81' ' ' ILE . 10.6 p90 -125.46 161.32 27.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.468 ' CZ ' HG23 ' A' ' 67' ' ' VAL . 18.7 ptp180 -164.05 150.79 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 90' ' ' TYR . 13.8 mtmt -75.38 144.91 42.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.7 79.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.0 m -74.51 -47.65 31.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -107.56 71.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -61.7 -50.89 70.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 t -40.7 -41.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -73.21 105.51 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.468 HG23 ' CZ ' ' A' ' 59' ' ' ARG . 2.1 t -128.53 149.48 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.519 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 21.8 m -120.63 133.31 55.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -93.2 130.68 38.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.1 m -132.93 103.11 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.73 135.26 33.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.83 -179.16 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.1 m -84.87 147.65 26.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.55 -40.27 69.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.9 t -86.48 15.36 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.308 . . . . 0.0 111.175 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -101.09 124.73 47.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.1 mt -112.87 8.67 18.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 75.9 p -139.1 161.68 36.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -167.68 133.38 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.5 tp -99.89 110.59 22.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.558 HG21 ' CE1' ' A' ' 58' ' ' TYR . 48.3 mm -91.57 100.05 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -94.01 166.72 12.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.47 51.63 3.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.442 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.3 mt -120.3 173.83 6.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.792 0.33 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -104.44 163.5 12.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 87' ' ' GLY . 16.5 ptt180 -89.27 162.16 16.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 86' ' ' ARG . . . 35.36 54.87 0.97 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.9 m -149.88 134.58 17.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.724 0.297 . . . . 0.0 111.104 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -70.28 141.97 52.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 60' ' ' LYS . 29.8 m-85 -135.05 137.54 43.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -97.22 136.19 38.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.444 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 98.9 m-85 -134.18 141.37 47.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.447 ' NE ' ' CZ2' ' A' ' 108' ' ' TRP . 23.5 ptt180 -149.16 137.82 21.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.9 t -114.71 143.78 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -143.44 147.21 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.22 142.49 27.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.1 mt -119.5 133.6 55.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 62.1 p -136.49 174.77 10.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 tt -59.23 -20.14 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -80.75 -9.29 59.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 127.2 -138.68 10.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.69 151.32 19.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 111.143 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -104.9 -169.93 24.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.472 ' CG ' ' C ' ' A' ' 20' ' ' ALA . 53.6 Cg_endo -69.7 157.86 59.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.96 138.03 51.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 107' ' ' ASP . 71.7 p -70.13 135.16 48.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.173 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.1 OUTLIER -33.97 141.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.447 ' CZ2' ' NE ' ' A' ' 93' ' ' ARG . 45.3 m95 -62.43 103.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.3 tp -94.45 116.71 29.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.4 m -88.74 143.99 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -140.97 132.42 26.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -99.01 113.47 25.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.44 166.14 4.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.147 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.509 ' CE2' HG13 ' A' ' 29' ' ' VAL . 45.3 m-85 -78.45 127.6 32.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -46.46 -21.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.8 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.633 0.73 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 146.12 59.15 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 t -123.82 39.13 4.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -124.08 110.41 14.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.85 158.47 35.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.3 Cg_endo -69.75 138.84 38.8 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -103.53 -176.29 3.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 47.9 41.44 14.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.9 tp -67.46 157.24 34.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -173.03 159.65 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.458 ' CD2' HG21 ' A' ' 37' ' ' ILE . 9.0 mt -128.54 104.98 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' ARG . 10.6 tp10 -85.67 81.79 8.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.6 t -52.91 88.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' GLU . 52.8 mmm-85 -57.59 -55.02 40.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -135.12 -177.62 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.6 p -75.03 -29.72 60.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -100.79 -15.3 17.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.8 p -120.99 139.67 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.8 mt -135.43 112.31 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.514 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 4.4 ttm -82.29 144.14 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.458 HG21 ' CD2' ' A' ' 27' ' ' LEU . 5.8 mt -116.49 133.1 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.514 ' CD2' ' HG2' ' A' ' 36' ' ' MET . 81.4 m-70 -125.54 121.47 33.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.809 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.555 ' CH2' HD11 ' A' ' 56' ' ' ILE . 39.2 p90 -138.65 156.11 47.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -112.21 148.45 39.12 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 144.48 54.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 168.98 20.05 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.11 150.67 19.72 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 0.0 111.055 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -39.74 6.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.53 -45.63 91.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.8 p -64.28 -34.08 77.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -58.26 117.53 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -79.35 -30.54 42.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.7 178.16 28.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -72.25 127.9 34.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.4 mt -71.22 149.63 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 39.5 p -117.82 -41.56 2.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.29 176.74 39.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.409 ' CD2' ' NE1' ' A' ' 39' ' ' TRP . 2.6 m-85 -124.57 140.33 53.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.977 0.418 . . . . 0.0 110.868 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -101.2 101.35 12.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.555 HD11 ' CH2' ' A' ' 39' ' ' TRP . 30.1 mt -98.1 108.36 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -109.78 136.79 48.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.433 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 51.1 p90 -137.46 138.51 39.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.517 ' NE ' ' CH2' ' A' ' 108' ' ' TRP . 11.3 ptp180 -126.95 -179.91 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -100.74 139.22 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.26 -50.79 71.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.9 t -47.84 -33.36 7.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -145.17 112.38 6.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.99 1.58 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -85.52 -41.08 15.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.9 98.95 2.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 68' ' ' THR . 1.9 p -129.05 134.73 63.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.419 ' N ' HG22 ' A' ' 67' ' ' VAL . 32.8 m -114.59 144.77 42.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.115 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -99.6 147.78 25.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.0 m -146.03 117.62 8.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.8 tp -94.5 153.8 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.6 m -147.66 175.24 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 t -80.19 154.71 27.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.63 -54.7 35.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 t -66.2 -12.11 54.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.701 0.286 . . . . 0.0 111.09 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -81.19 110.73 16.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.4 mt -105.68 25.64 10.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.8 p -153.3 148.8 27.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 80' ' ' LEU . 5.9 tp-100 -149.26 139.85 22.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.482 ' N ' ' OE1' ' A' ' 79' ' ' GLN . 28.4 tp -108.52 109.35 20.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.4 mm -97.28 107.28 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -103.52 165.86 10.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.92 42.28 5.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mt -116.52 169.8 9.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -101.98 149.25 24.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -76.08 162.99 27.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.4 51.56 7.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 34.1 m -147.15 130.58 16.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.757 0.313 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -74.11 131.17 41.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -125.65 148.6 48.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.48 139.72 44.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.433 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 95.1 m-85 -135.1 152.92 52.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -154.29 131.83 11.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 95' ' ' ALA . 71.4 t -111.5 140.6 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.456 ' N ' HG12 ' A' ' 94' ' ' VAL . . . -143.06 144.86 32.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -87.64 144.65 26.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.4 mt -122.91 134.63 54.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.3 p -133.44 173.21 11.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 16.9 tt -51.55 -37.08 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -57.42 -24.08 53.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.15 -101.81 0.28 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.446 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.2 p -120.87 176.97 5.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 111.139 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -134.83 -173.8 13.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.42 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.79 152.95 69.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.371 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.8 147.98 39.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 67.8 p -74.66 133.55 42.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.38 138.6 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.517 ' CH2' ' NE ' ' A' ' 59' ' ' ARG . 38.7 m95 -51.36 104.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.1 tp -98.74 112.63 24.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.3 m -81.67 147.65 29.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.428 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . . . -147.88 130.26 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.044 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -99.62 122.26 42.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.4 p -68.92 170.72 9.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -84.0 121.39 27.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -38.16 -37.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.808 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.2 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.615 0.721 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 141.77 46.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.4 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -116.03 58.8 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.463 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -148.47 124.16 10.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.69 158.0 33.81 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.582 0.706 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.449 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.6 Cg_endo -69.78 132.4 23.22 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.727 2.285 . . . . 0.0 112.301 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -100.92 -177.26 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 51.41 36.59 16.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.2 157.54 22.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 p -167.92 152.95 6.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.7 mt -125.0 95.69 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -81.35 91.46 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.35 89.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -61.33 -52.11 66.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -134.34 177.95 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 93.8 p -75.61 -20.01 58.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' LEU . 16.9 ptmt -109.8 -14.79 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 p -123.81 143.92 50.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.1 mt -135.23 117.47 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.533 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 5.0 ttm -84.28 135.06 34.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.439 ' CD1' HG22 ' A' ' 56' ' ' ILE . 10.4 mt -108.74 127.5 65.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.533 ' CD2' ' HG2' ' A' ' 36' ' ' MET . 86.8 m-70 -119.56 123.97 45.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.563 ' CH2' HD12 ' A' ' 56' ' ' ILE . 42.2 p90 -139.71 174.36 10.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -131.58 153.58 81.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.603 0.716 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.42 45.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.319 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 170.32 16.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.06 152.83 48.91 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.558 0.695 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -46.62 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.22 -50.47 20.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.043 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.0 p -64.14 -46.14 85.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -45.24 122.17 3.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -100.64 35.11 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 157.09 -138.05 5.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -124.24 138.91 54.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.759 0.314 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.7 mt -78.52 127.74 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.1 p -104.14 -38.6 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.96 170.63 40.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.47 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 92.9 m-85 -122.24 142.1 50.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.42 . . . . 0.0 110.929 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -105.82 100.98 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.563 HD12 ' CH2' ' A' ' 39' ' ' TRP . 65.3 mt -96.72 113.03 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -115.01 137.79 51.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.57 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 53.3 p90 -135.49 140.5 44.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.3 ptt85 -128.78 177.91 6.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -100.29 137.91 38.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.79 -45.94 64.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -86.18 -52.6 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -93.45 47.64 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -41.7 -40.87 2.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.5 t -46.71 -43.99 18.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -75.46 95.33 3.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.7 p -127.0 139.74 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.9 m -113.48 146.45 39.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -104.67 131.66 51.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.9 m -120.11 142.7 48.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.168 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.54 135.41 54.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 54' ' ' TYR . 34.7 m -128.06 178.84 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 m -80.88 167.38 19.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.6 -57.45 7.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.3 t -60.68 -24.76 65.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.705 0.288 . . . . 0.0 111.131 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.499 ' NE2' ' OE1' ' A' ' 79' ' ' GLN . 21.8 tt0 -70.48 114.24 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.7 mt -105.18 27.57 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.527 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 35.3 m -164.31 152.61 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.499 ' OE1' ' NE2' ' A' ' 76' ' ' GLN . 32.5 tp60 -143.83 160.82 40.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.9 tp -120.69 108.07 13.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.0 mm -95.55 99.96 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -97.94 165.17 12.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.38 49.39 3.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' LYS . 8.6 mt -120.3 -178.3 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.788 0.328 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -115.66 147.01 41.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -73.69 162.06 29.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 42.96 49.41 6.25 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.6 m -146.38 126.54 13.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 111.166 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -69.9 142.98 52.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -143.06 137.82 29.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.51 153.07 18.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 68.1 m-85 -148.68 151.22 34.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 108' ' ' TRP . 14.5 ptm180 -151.74 126.57 9.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.5 t -102.91 130.17 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.71 148.18 51.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.054 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.427 ' HA ' ' CD1' ' A' ' 54' ' ' TYR . . . -90.5 151.53 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.4 mt -128.76 140.29 51.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 72.8 p -141.82 179.53 6.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.4 tt -60.29 -31.37 48.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -67.23 -18.97 65.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.33 -122.23 2.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.9 p -107.41 165.53 11.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 111.175 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -124.69 -173.9 13.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.463 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.7 Cg_endo -69.76 160.55 49.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.27 -179.54 3.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 107' ' ' ASP . 69.5 p -104.79 132.97 50.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.477 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.3 OUTLIER -32.0 130.63 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 93' ' ' ARG . 31.1 m95 -47.33 98.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.2 tp -96.23 116.14 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 81.5 p -88.11 151.74 22.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -148.34 130.37 15.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -98.25 119.56 37.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.1 p -65.07 168.07 7.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -74.16 112.19 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -45.46 -24.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 -179.811 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.628 0.728 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 149.09 66.51 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.647 2.232 . . . . 0.0 112.353 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 t -124.26 41.8 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -131.73 124.68 30.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.95 157.74 35.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.545 0.688 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.453 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 54.0 Cg_endo -69.73 140.81 43.72 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.373 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -108.23 -175.78 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 49.85 40.33 20.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -66.25 148.81 51.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -162.26 156.29 21.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 mt -128.88 102.06 6.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -88.01 79.19 8.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.9 102.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -70.02 -51.13 34.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -135.46 -175.09 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.8 p -79.18 -27.81 42.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -0.49 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.0 m -135.5 154.0 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -146.63 126.25 5.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.425 ' HE2' ' C ' ' A' ' 79' ' ' GLN . 5.7 tpt -89.79 138.75 31.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.449 ' CD1' HG23 ' A' ' 56' ' ' ILE . 9.7 mt -115.83 117.82 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.404 ' NE2' ' HG2' ' A' ' 36' ' ' MET . 91.3 m-70 -114.17 121.98 45.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.53 ' CH2' HD13 ' A' ' 56' ' ' ILE . 38.7 p90 -140.11 167.29 22.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -125.95 154.74 73.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.635 0.731 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 144.5 54.18 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 169.77 18.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.62 149.29 31.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 111.124 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -46.84 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.648 2.232 . . . . 0.0 112.295 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.25 -32.89 17.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' GLN . 36.1 p -81.15 -45.84 15.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' THR . 53.2 mt-30 -34.38 133.36 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -112.44 36.7 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.37 -163.84 26.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -92.75 130.12 38.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.744 0.306 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.8 mt -77.18 128.16 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.077 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.6 p -93.98 -42.69 8.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -167.26 175.64 42.33 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -116.59 138.54 51.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.943 0.401 . . . . 0.0 110.927 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -103.24 92.45 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.53 HD13 ' CH2' ' A' ' 39' ' ' TRP . 53.8 mt -89.72 124.56 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -125.96 143.68 50.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.56 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 13.4 p90 -140.67 156.58 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -148.72 175.16 11.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -96.84 133.61 41.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.36 -47.65 9.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 t -71.71 -55.93 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -101.73 83.41 2.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -76.09 -43.5 43.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.9 t -39.0 -42.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -82.85 110.85 18.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -124.94 147.97 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.071 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.496 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 25.7 m -109.52 138.75 45.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -97.0 139.87 32.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.2 m -137.25 118.22 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.171 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -107.17 127.8 53.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.418 ' N ' HD13 ' A' ' 71' ' ' LEU . 21.0 m -124.19 178.51 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -74.61 156.64 36.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.13 -56.25 21.57 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.8 t -65.06 -16.5 63.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 111.154 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -73.8 111.89 9.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.8 mt -104.04 28.91 6.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.0 p -150.27 152.18 34.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.551 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -152.84 131.73 12.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.898 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.551 ' N ' ' CD ' ' A' ' 79' ' ' GLN . 41.1 tp -109.52 109.9 20.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.436 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 47.3 mm -92.02 104.05 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -96.94 161.17 13.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.64 41.33 4.18 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mt -113.82 174.98 5.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.799 0.333 . . . . 0.0 110.933 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -113.97 160.27 19.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -84.21 160.41 20.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 47.47 51.35 16.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.518 HG23 ' CZ ' ' A' ' 90' ' ' TYR . 31.7 m -149.98 139.14 21.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 111.161 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -85.61 142.4 29.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.518 ' CZ ' HG23 ' A' ' 88' ' ' THR . 95.9 m-85 -142.96 137.34 29.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.415 ' CB ' ' CE3' ' A' ' 108' ' ' TRP . 0.6 OUTLIER -96.07 148.73 22.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.56 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 50.9 m-85 -142.16 154.75 45.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -152.74 137.51 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.1 t -111.28 136.7 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.81 150.23 49.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.15 149.0 22.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.468 ' CD1' HD21 ' A' ' 71' ' ' LEU . 12.6 mt -124.19 137.04 54.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 74.5 p -136.64 170.07 16.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.0 tt -53.47 -33.32 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -65.71 -20.35 66.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 128.81 -167.36 20.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 17.2 p -50.56 159.4 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.824 0.345 . . . . 0.0 111.142 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -126.87 -174.41 13.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.43 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.6 Cg_endo -69.72 155.87 64.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.85 154.07 37.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.453 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 74.6 p -76.43 168.7 19.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -62.1 170.95 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.415 ' CE3' ' CB ' ' A' ' 91' ' ' ASN . 22.5 m95 -87.44 93.54 9.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.0 tp -86.12 116.78 24.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 62.8 p -85.68 131.74 34.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -132.55 128.95 38.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -102.0 117.04 33.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.7 p -59.31 169.96 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' GLU . 63.5 m-85 -77.93 115.94 18.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' PHE . 1.6 tt0 -34.17 -38.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 114' ' ' PHE . 3.0 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.65 0.738 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 130.18 18.94 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.393 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.7 p -107.98 51.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.417 ' C ' ' HG3' ' A' ' 104' ' ' PRO . . . -164.05 131.5 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' CB ' ' HD2' ' A' ' 22' ' ' PRO . . . -104.97 166.52 11.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.573 0.701 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.77 133.44 25.56 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -101.19 179.6 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 58.45 36.57 25.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.2 tp -66.46 150.61 48.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.0 m -168.07 168.89 11.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.4 mt -138.87 108.69 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.7 tp10 -91.74 83.91 5.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.4 t -52.28 88.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.102 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' GLU . 23.2 mmm180 -58.39 -54.36 47.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -136.89 -176.04 4.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.9 p -74.73 -21.93 59.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -114.42 -6.59 12.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 p -125.35 133.46 52.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.2 mt -133.66 115.6 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.415 ' HG2' ' NE2' ' A' ' 38' ' ' HIS . 1.7 ttm -86.71 147.1 26.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.472 ' CD1' HG23 ' A' ' 56' ' ' ILE . 12.5 mt -114.46 144.47 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.415 ' NE2' ' HG2' ' A' ' 36' ' ' MET . 90.4 m-70 -135.05 114.92 12.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.538 ' CH2' HD12 ' A' ' 56' ' ' ILE . 38.8 p90 -133.57 171.56 13.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -129.39 154.49 80.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.536 0.684 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.31 50.55 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.377 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.97 17.67 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.372 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.16 149.57 24.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.54 0.686 . . . . 0.0 111.058 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -38.28 7.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.636 2.224 . . . . 0.0 112.39 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.75 -25.9 67.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.9 p -95.97 21.34 8.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -112.84 74.8 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.11 -17.92 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.51 177.1 28.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -81.64 154.04 26.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.7 mt -93.53 139.35 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 76.0 p -109.5 -33.67 6.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.86 166.25 36.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.461 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 98.6 m-85 -111.89 142.38 44.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.958 0.409 . . . . 0.0 110.926 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -101.51 95.59 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.538 HD12 ' CH2' ' A' ' 39' ' ' TRP . 36.0 mt -88.57 113.89 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -120.95 134.45 55.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.569 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 18.3 p90 -136.65 147.27 46.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -136.25 178.58 6.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 61' ' ' ALA . 32.4 mtpt -96.67 125.99 41.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 60' ' ' LYS . . . -34.68 -47.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -80.81 -48.92 11.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -98.08 88.12 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -76.25 -48.61 19.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 m -41.72 -47.79 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -70.95 103.36 2.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.2 t -124.25 148.07 28.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 95.1 m -114.65 133.53 55.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.52 132.72 40.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.9 m -143.0 106.7 4.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.174 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -86.94 156.74 19.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 54' ' ' TYR . 31.6 m -138.46 171.92 14.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 p -68.38 151.24 47.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.52 -34.04 54.77 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -93.49 1.0 56.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.71 0.29 . . . . 0.0 111.083 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.418 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 5.0 tt0 -72.25 119.49 16.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.7 mt -108.93 9.5 26.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -161.96 154.3 19.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 80' ' ' LEU . 19.9 tp60 -145.81 149.04 33.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 79' ' ' GLN . 18.7 tp -106.19 114.1 28.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.504 HG23 ' CZ ' ' A' ' 58' ' ' TYR . 49.9 mm -100.87 106.63 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -104.97 160.43 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.59 48.67 2.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 mt -126.31 164.21 21.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.82 153.76 18.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.407 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 13.6 ptt180 -75.06 161.41 29.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 43.51 58.76 3.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.51 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 31.2 m -152.12 119.38 5.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.763 0.316 . . . . 0.0 111.168 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.41 139.59 58.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 88' ' ' THR . 91.6 m-85 -138.8 147.07 42.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -105.03 145.75 30.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 79.6 m-85 -142.3 138.41 31.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 108' ' ' TRP . 28.5 ptt180 -143.69 130.18 20.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.4 t -103.52 139.77 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.34 144.76 44.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.44 145.75 24.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.8 mt -125.44 140.31 52.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.9 p -139.51 172.08 13.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.1 tp -54.27 -35.61 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -63.57 -21.67 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 140.9 -139.36 9.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.426 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.8 p -89.65 169.95 10.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 111.139 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -127.62 -170.56 12.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.417 ' HG3' ' C ' ' A' ' 20' ' ' ALA . 53.6 Cg_endo -69.72 158.54 56.67 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.321 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.8 134.16 55.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.054 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 70.3 p -61.59 155.85 21.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -50.42 170.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.559 ' CZ2' ' HD3' ' A' ' 93' ' ' ARG . 23.1 m95 -87.37 93.86 9.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.0 tp -89.63 119.42 30.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.8 m -92.01 144.4 25.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.65 131.76 20.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -105.3 118.08 35.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.76 172.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 116' ' ' SER . 48.0 m-85 -84.95 116.65 23.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 114' ' ' PHE . 31.0 mt-10 -36.5 -33.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' PHE . 16.0 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.67 0.747 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 151.24 69.54 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.383 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 p -126.12 42.16 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -135.58 133.28 38.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.68 162.81 23.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.703 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 134.38 27.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.64 2.227 . . . . 0.0 112.343 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -97.67 -174.92 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 43.28 49.33 5.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.405 ' CD1' HG22 ' A' ' 94' ' ' VAL . 48.7 tp -70.78 152.08 44.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -163.23 161.28 24.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.455 ' CD2' HG23 ' A' ' 37' ' ' ILE . 19.8 mt -133.2 101.88 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -82.6 91.45 6.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.87 90.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.441 ' HG3' ' CD1' ' A' ' 80' ' ' LEU . 14.3 mmm180 -60.47 -54.26 47.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -136.04 -175.61 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.3 p -74.73 -29.36 61.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -103.28 -16.54 15.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 p -115.84 139.87 49.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.401 HD13 ' CD1' ' A' ' 84' ' ' LEU . 91.6 mt -136.75 107.49 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.5 ttm -79.12 139.93 37.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.465 ' CD1' ' CG2' ' A' ' 56' ' ' ILE . 15.2 mt -107.89 142.54 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -133.83 115.97 15.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.47 ' CG ' HG13 ' A' ' 94' ' ' VAL . 42.9 p90 -132.33 164.54 26.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -118.31 152.82 51.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.69 48.59 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.722 2.281 . . . . 0.0 112.319 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 171.06 15.1 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.384 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.83 147.91 29.84 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.556 0.693 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -30.11 22.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.19 -52.76 24.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.155 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.3 p -56.79 -37.99 71.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -39.06 142.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -125.71 35.65 4.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 137.1 176.19 14.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -70.46 135.69 48.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 0.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.2 mt -80.91 121.33 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.8 p -85.08 -44.73 12.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.414 ' C ' HD12 ' A' ' 97' ' ' LEU . . . -164.95 167.36 38.62 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.402 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 39.0 m-85 -112.06 129.19 56.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.94 0.4 . . . . 0.0 110.908 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 95' ' ' ALA . 2.6 tptp -92.42 126.2 37.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.465 ' CG2' ' CD1' ' A' ' 37' ' ' ILE . 19.0 mt -123.36 121.31 62.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -119.23 152.56 36.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.5 ' CZ ' ' HB ' ' A' ' 68' ' ' THR . 49.5 p90 -156.96 140.56 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -136.26 174.43 10.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -87.96 140.91 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.48 99.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.8 t -74.1 -59.58 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -58.55 -46.77 86.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm 43.99 25.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -132.83 -33.09 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -93.46 110.78 22.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.7 t -120.89 153.41 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.5 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 30.1 m -123.44 136.82 54.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.27 144.62 25.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.2 m -138.47 132.05 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.428 ' CD1' ' C ' ' A' ' 71' ' ' LEU . 0.7 OUTLIER -116.55 130.19 56.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.409 ' N ' HD11 ' A' ' 71' ' ' LEU . 33.3 m -123.93 169.18 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.5 m -69.29 154.55 41.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.76 -50.4 63.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -83.52 33.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.728 0.299 . . . . 0.0 111.119 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -117.82 108.41 15.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.4 mt -102.08 31.34 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.6 p -159.63 160.58 34.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -162.54 153.59 17.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.441 ' CD1' ' HG3' ' A' ' 30' ' ' ARG . 22.2 tp -120.84 110.79 16.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.452 HG23 ' CZ ' ' A' ' 58' ' ' TYR . 39.7 mm -98.18 105.09 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -102.26 163.3 12.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.25 43.09 4.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.444 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.401 ' CD1' HD13 ' A' ' 35' ' ' ILE . 6.8 mt -120.29 166.09 13.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -94.33 148.23 22.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -74.31 163.22 28.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 39.48 55.48 2.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 89' ' ' GLU . 61.6 m -144.87 140.79 28.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.306 . . . . 0.0 111.129 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.454 ' N ' HG23 ' A' ' 88' ' ' THR . 29.0 tt0 -81.68 128.94 34.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -131.17 146.45 52.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -104.83 145.01 30.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -139.66 153.57 47.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -156.02 133.19 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.47 HG13 ' CG ' ' A' ' 39' ' ' TRP . 64.9 t -103.2 145.54 12.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . -140.92 152.7 45.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.7 151.36 22.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.414 HD12 ' C ' ' A' ' 53' ' ' GLY . 6.8 mt -129.95 138.99 51.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -137.4 170.68 15.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.0 tt -50.24 -40.1 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -56.18 -25.43 46.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.26 -130.03 4.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 m -94.91 151.86 18.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.822 0.344 . . . . 0.0 111.144 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -109.67 -176.54 21.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.501 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.454 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.3 Cg_endo -69.81 161.28 46.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.692 2.262 . . . . 0.0 112.337 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.77 141.34 51.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.3 p -66.04 167.09 10.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.24 177.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -87.5 96.81 10.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.1 tp -92.9 114.8 27.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.6 t -85.65 157.62 20.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.93 128.69 10.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -97.99 117.08 31.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.9 p -66.76 167.84 10.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 115' ' ' GLU . 50.5 m-85 -82.52 113.67 20.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 114' ' ' PHE . 22.5 mt-10 -34.56 -38.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.809 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.595 0.712 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 137.26 34.92 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 t -117.5 35.97 4.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.425 ' C ' ' CG ' ' A' ' 104' ' ' PRO . . . -131.65 135.74 47.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.87 162.78 31.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.712 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.413 ' HG3' ' CG1' ' A' ' 94' ' ' VAL . 53.7 Cg_endo -69.72 130.07 18.74 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.746 2.297 . . . . 0.0 112.309 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -99.11 -175.18 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 53.93 41.83 31.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.3 141.45 58.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 m -155.65 156.97 35.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.9 mt -131.98 102.01 5.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -89.98 76.65 7.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.9 t -48.62 99.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.454 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 14.1 mmm180 -68.06 -49.4 61.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.45 ' OD1' ' C ' ' A' ' 30' ' ' ARG . 4.3 m-20 -134.21 -175.44 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 86.3 p -78.67 -23.27 45.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -106.79 -19.58 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 p -115.59 148.05 40.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.5 mt -139.32 126.09 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.454 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 5.6 tpt -90.57 136.32 33.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 56' ' ' ILE . 6.4 mt -112.0 128.6 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -124.61 119.13 28.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.444 ' CH2' HD11 ' A' ' 56' ' ' ILE . 36.1 p90 -137.85 166.38 24.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -119.86 150.2 50.19 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.579 0.704 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 144.94 55.33 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 171.42 14.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.41 149.42 20.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.565 0.697 . . . . 0.0 111.14 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -23.86 30.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.71 -36.08 29.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 47' ' ' GLN . 49.1 p -81.49 -35.61 30.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 46' ' ' THR . 19.9 mt-30 -28.98 -42.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 46' ' ' THR . 25.3 t-20 63.78 35.59 11.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 129.16 -179.64 16.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -83.72 139.33 32.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.514 HG23 ' CE1' ' A' ' 54' ' ' TYR . 46.2 mt -87.13 142.83 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.6 p -110.16 -41.98 4.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.406 ' C ' HD12 ' A' ' 97' ' ' LEU . . . -165.01 168.29 39.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.501 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.514 ' CE1' HG23 ' A' ' 51' ' ' ILE . 2.2 m-85 -118.52 137.27 53.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.93 0.395 . . . . 0.0 110.939 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -99.73 94.21 6.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.46 HG23 ' CD1' ' A' ' 37' ' ' ILE . 59.9 mt -87.44 120.45 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -118.59 148.78 42.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.564 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 33.0 p90 -150.5 148.63 28.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -141.24 -179.8 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -94.97 142.5 27.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.64 -12.01 60.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.05 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.2 t -97.53 -45.89 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -85.78 -44.77 12.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? 49.03 32.83 4.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 m -133.41 -34.15 1.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -91.38 111.87 23.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.0 t -120.73 145.7 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.506 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 35.3 m -119.79 136.12 54.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -91.11 141.26 29.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.6 m -134.97 114.85 12.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -101.44 129.43 47.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.453 ' N ' HD12 ' A' ' 71' ' ' LEU . 26.9 m -121.45 -177.9 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m -82.36 148.01 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.94 -42.04 78.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.4 t -88.81 29.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.32 . . . . 0.0 111.129 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -117.65 112.42 20.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.8 mt -103.5 31.34 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 99.5 p -156.77 150.6 24.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.418 ' C ' ' HE3' ' A' ' 36' ' ' MET . 37.7 tp60 -152.51 136.1 16.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.4 tp -111.62 111.05 21.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.0 mm -95.18 119.29 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -110.41 160.95 16.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.57 48.77 2.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 mt -123.44 165.94 16.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -103.81 155.34 18.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.8 ptt85 -79.66 159.52 26.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.53 53.59 20.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.409 HG23 ' CZ ' ' A' ' 90' ' ' TYR . 60.0 m -153.35 129.36 10.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.733 0.301 . . . . 0.0 111.145 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -73.34 142.83 47.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.409 ' CZ ' HG23 ' A' ' 88' ' ' THR . 89.3 m-85 -142.45 136.43 29.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.42 146.63 25.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 52.8 m-85 -140.75 148.94 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -143.92 141.46 30.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.413 ' CG1' ' HG3' ' A' ' 22' ' ' PRO . 90.6 t -115.03 127.48 72.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.79 149.8 46.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.7 150.23 22.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.456 ' CD2' HG21 ' A' ' 102' ' ' THR . 6.3 mt -130.11 137.21 50.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.1 p -136.6 171.6 14.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.7 tt -49.19 -41.61 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -58.89 -25.66 63.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.8 -145.66 17.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.456 HG21 ' CD2' ' A' ' 97' ' ' LEU . 15.2 p -78.59 160.22 27.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 0.0 111.153 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -125.18 -166.92 12.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.425 ' CG ' ' C ' ' A' ' 20' ' ' ALA . 54.0 Cg_endo -69.7 162.29 42.61 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.379 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -129.5 133.2 47.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 65.6 p -57.06 165.78 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -62.61 172.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -86.64 96.16 10.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 tp -87.92 113.75 23.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 72.9 m -80.35 145.21 32.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.13 129.98 20.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -104.5 116.75 32.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.6 p -62.91 171.11 2.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -87.84 121.9 30.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -40.08 -35.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.612 0.72 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.11 56.26 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -123.08 41.34 3.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.19 129.57 21.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.29 157.46 34.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.702 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.471 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.9 Cg_endo -69.84 133.32 25.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.64 2.227 . . . . 0.0 112.36 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -102.06 -177.2 3.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 54.34 42.74 31.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 26' ' ' SER . 38.5 tp -72.14 158.42 35.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.406 ' N ' ' HG ' ' A' ' 25' ' ' LEU . 3.6 m -173.73 156.66 2.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.5 mt -130.16 96.35 4.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.6 93.33 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.01 93.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.479 ' HA ' ' CZ ' ' A' ' 30' ' ' ARG . 1.8 mmp_? -67.18 -46.71 73.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -139.73 -177.45 4.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.1 p -75.59 -27.52 58.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -112.37 18.39 18.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 p -148.32 139.18 23.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -142.26 116.41 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.8 tpp -87.29 131.81 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.4 mt -102.61 132.1 49.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -124.69 115.43 20.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.453 ' CZ3' HD12 ' A' ' 56' ' ' ILE . 42.6 p90 -130.17 164.55 24.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -124.66 154.16 70.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.6 0.714 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 144.45 53.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.643 2.229 . . . . 0.0 112.317 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HG2' ' NE2' ' A' ' 47' ' ' GLN . 53.5 Cg_endo -69.81 169.36 19.16 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.84 152.97 45.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -43.46 2.61 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.299 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.51 -53.05 33.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 p -63.13 -52.1 63.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.42 ' NE2' ' HG2' ' A' ' 42' ' ' PRO . 53.7 mt-30 -50.77 116.97 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.89 51.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.5 -168.68 41.2 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -110.06 132.04 54.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.65 139.37 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.4 p -118.94 -33.45 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -169.65 175.84 43.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 96' ' ' ALA . 62.2 m-85 -128.28 140.8 51.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.899 0.38 . . . . 0.0 110.974 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.465 ' HD2' ' CD2' ' A' ' 97' ' ' LEU . 18.0 mttp -103.63 116.12 31.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.453 HD12 ' CZ3' ' A' ' 39' ' ' TRP . 30.8 mt -109.44 99.15 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 10.0 mtm105 -100.99 140.1 35.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.421 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 32.2 p90 -142.05 166.32 25.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -150.57 178.66 8.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -101.47 121.81 42.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.63 -39.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.3 m -62.4 -57.87 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 8.5 ptm180 -118.11 98.56 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -69.13 -4.12 16.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -77.29 -36.22 54.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -80.51 102.22 9.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.0 146.48 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 69' ' ' GLU . 27.3 m -124.61 146.19 49.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.428 ' N ' HG23 ' A' ' 68' ' ' THR . 34.6 tt0 -102.55 146.81 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 93.5 m -140.07 111.71 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.05 133.79 39.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.79 178.02 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.5 m -81.81 149.62 28.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.65 -36.45 59.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.7 t -94.67 23.48 5.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.752 0.31 . . . . 0.0 111.143 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -111.8 108.9 18.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.6 mt -104.04 31.04 4.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.4 p -159.42 151.48 20.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -159.03 135.41 9.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.2 tp -102.83 118.96 37.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.6 mm -104.21 98.35 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -96.38 166.9 11.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.47 37.92 7.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mt -109.07 176.14 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 0.0 110.92 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -104.75 154.54 19.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 87' ' ' GLY . 11.4 ptt180 -81.93 168.02 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' ARG . . . 35.41 52.17 1.0 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.1 m -148.54 135.68 20.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 0.0 111.147 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.39 143.6 40.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.508 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . 44.0 m-85 -135.81 138.79 42.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.497 ' HB3' ' CE3' ' A' ' 108' ' ' TRP . 1.3 m-80 -103.41 132.12 49.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 90' ' ' TYR . 69.7 m-85 -132.57 152.83 51.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.554 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 14.0 ptm180 -154.93 128.01 8.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 49.0 t -102.93 139.15 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.08 137.54 41.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . . . -84.04 150.82 25.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.465 ' CD2' ' HD2' ' A' ' 55' ' ' LYS . 8.1 mt -127.64 144.38 51.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.9 p -141.51 174.04 10.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 tp -59.09 -30.5 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -66.88 -16.6 64.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.95 -139.01 10.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.0 p -86.53 163.11 17.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 111.149 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -126.81 -174.99 13.96 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 166.5 27.39 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.29 165.49 18.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.08 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.471 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 70.9 p -89.2 133.8 34.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.1 OUTLIER -36.91 144.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.554 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 42.6 m95 -55.63 103.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.6 tp -95.58 113.18 24.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 56.8 m -87.08 143.16 27.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.3 130.73 21.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -100.37 120.75 40.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.4 p -70.72 169.62 14.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -84.77 119.06 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -39.64 -34.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.833 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.8 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.629 0.728 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 153.34 68.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.647 2.232 . . . . 0.0 112.318 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 t -127.29 35.85 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.424 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -114.28 124.93 53.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.6 149.79 37.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.7 Cg_endo -69.7 135.51 30.79 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.333 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -102.49 175.65 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 58.77 43.22 18.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.3 tp -73.14 146.34 45.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -164.26 162.32 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.0 mt -134.96 103.61 5.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -84.48 93.06 8.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.413 ' CG1' ' CE2' ' A' ' 114' ' ' PHE . 93.2 t -58.38 94.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -70.21 -42.15 72.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -146.03 161.75 39.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.3 m -62.64 -14.34 42.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.54 -11.48 11.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 p -126.44 138.67 53.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.9 mt -134.13 114.67 19.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.9 tpp -83.59 142.29 30.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.416 ' CD1' HG23 ' A' ' 56' ' ' ILE . 16.2 mt -111.85 137.21 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -129.22 117.52 20.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 41.3 p90 -134.97 167.27 21.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -125.92 151.45 71.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 143.73 51.95 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.256 . . . . 0.0 112.398 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 171.06 15.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.54 152.24 26.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.576 0.703 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -40.05 5.76 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.43 -48.01 77.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 47' ' ' GLN . 70.4 p -61.98 -55.23 31.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 46' ' ' THR . 61.1 mt-30 -35.3 134.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -109.96 34.96 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 152.27 -139.53 7.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -120.64 134.24 55.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.2 mt -78.08 137.23 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.9 p -109.03 -29.41 8.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.68 161.21 29.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -109.44 138.48 45.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.953 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -96.0 99.41 11.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.416 HG23 ' CD1' ' A' ' 37' ' ' ILE . 74.0 mt -93.12 113.66 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -118.72 133.94 55.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.531 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 32.2 p90 -132.66 146.52 51.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.46 ' NH2' ' CD1' ' A' ' 108' ' ' TRP . 24.2 ptt180 -135.93 174.29 10.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -93.23 136.23 33.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.38 -47.96 80.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 m -69.44 -44.47 71.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -118.6 68.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -45.21 -42.14 8.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t -44.54 -35.86 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -77.5 97.41 5.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.5 p -129.08 141.38 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.509 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 88.3 m -118.68 142.89 47.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.493 ' OE2' ' N ' ' A' ' 70' ' ' THR . 3.4 tm-20 -90.04 142.47 27.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.493 ' N ' ' OE2' ' A' ' 69' ' ' GLU . 47.2 m -146.6 107.95 4.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.467 ' N ' ' OE2' ' A' ' 69' ' ' GLU . 10.3 mt -96.32 163.27 13.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.1 m -146.15 -175.61 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 m -80.57 151.95 28.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.69 -29.37 74.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.1 t -91.85 -6.0 52.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.736 0.303 . . . . 0.0 111.147 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.458 ' NE2' ' OE1' ' A' ' 79' ' ' GLN . 21.2 tt0 -88.84 116.07 26.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.6 mt -101.75 21.61 14.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.407 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 92.5 p -149.26 161.58 41.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.458 ' OE1' ' NE2' ' A' ' 76' ' ' GLN . 27.3 tp60 -160.96 125.05 3.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.7 tp -98.29 110.82 23.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.9 mm -96.01 108.9 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -103.76 158.88 16.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.33 48.49 1.85 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 mt -120.74 171.98 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.31 147.86 30.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -70.96 159.66 34.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 45.4 55.59 6.74 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.2 m -152.0 118.7 5.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.791 0.329 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.09 135.04 53.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -130.7 148.98 52.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.466 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 1.2 m-80 -112.11 150.35 30.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.531 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 16.9 m-85 -144.07 150.75 38.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.508 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 10.1 ptm180 -141.74 129.06 21.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.2 t -109.57 127.62 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.49 147.3 52.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.51 141.23 28.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 mt -122.28 134.61 54.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 50.4 p -131.2 174.56 9.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.9 tp -53.46 -35.23 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -58.8 -22.53 58.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 141.63 -103.49 0.34 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 41.2 p -123.21 170.97 9.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 111.141 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.68 -172.76 13.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.424 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.77 163.83 36.81 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -123.17 149.93 43.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.467 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 80.5 p -78.36 152.91 32.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -46.27 168.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.508 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 25.4 m95 -82.33 97.73 8.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.3 tp -87.48 117.5 26.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 p -98.04 130.38 44.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -128.16 139.02 52.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.078 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -101.6 126.56 48.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.66 163.73 27.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.413 ' CE2' ' CG1' ' A' ' 29' ' ' VAL . 49.2 m-85 -75.26 122.97 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -47.19 -22.07 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.81 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -170.6 173.9 5.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 p -172.82 174.56 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.32 126.43 1.07 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -168.99 161.64 10.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 t -164.58 157.12 16.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.64 144.15 4.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -165.04 120.38 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.2 t -137.36 131.01 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.49 175.14 11.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 12' ' ' ARG . 54.5 t -145.81 145.0 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.413 ' N ' HG12 ' A' ' 11' ' ' VAL . 89.6 mtt180 -128.11 47.7 2.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.6 p -110.06 140.48 44.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -120.9 150.96 40.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -171.36 170.87 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -75.29 -50.26 16.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.2 m -67.53 147.02 98.81 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.632 0.73 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 143.16 49.87 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.3 t -117.62 33.48 5.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -133.15 137.25 46.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 22' ' ' PRO . . . -114.53 168.73 7.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 0.0 111.098 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.75 145.18 56.45 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 42' ' ' PRO . 1.9 mp0 -109.35 -179.7 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 53.91 36.9 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.2 tp -65.27 134.9 54.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -148.0 156.59 42.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.2 mt -130.46 96.31 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 28' ' ' GLU . 5.0 tm-20 -84.8 89.84 7.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -53.67 111.23 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.426 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 11.4 mmm180 -81.13 -48.78 11.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -141.33 176.04 9.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.9 p -74.66 -3.21 29.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -123.79 -15.62 6.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 t -125.9 158.66 34.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.6 mt -148.31 125.27 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.426 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 5.2 tpt -84.18 135.01 34.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 56' ' ' ILE . 3.5 mt -111.56 123.91 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -121.39 115.57 23.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.557 ' CZ3' HD13 ' A' ' 56' ' ' ILE . 36.9 p90 -133.84 154.51 50.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.426 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -110.58 149.94 40.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 110.965 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 146.72 61.43 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.442 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 54.0 Cg_endo -69.81 168.5 21.44 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.324 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.59 153.03 22.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.627 0.727 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -43.7 2.51 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.359 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.29 -43.54 67.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.07 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.7 p -71.33 -41.05 70.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -45.56 103.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -86.79 37.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 141.26 165.61 10.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -66.2 138.76 57.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.9 mt -81.03 137.67 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 37.2 p -104.72 -26.63 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.21 172.84 39.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -119.87 150.34 40.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.917 0.389 . . . . 0.0 110.953 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -110.46 100.85 9.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.557 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 58.6 mt -91.23 110.64 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -117.53 145.34 44.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.546 ' CE1' ' HB ' ' A' ' 68' ' ' THR . 1.5 p90 -146.75 156.6 43.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -139.57 177.6 7.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.41 ' HG2' ' CE1' ' A' ' 90' ' ' TYR . 64.2 mttt -100.08 129.98 46.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.18 -23.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.1 m -94.15 -28.53 15.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -130.11 89.28 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -71.15 -35.65 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 t -56.9 -35.14 68.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -81.1 108.73 15.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.0 t -125.09 151.0 30.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.546 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 71.8 m -113.66 132.32 55.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -92.76 136.0 33.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.5 m -145.28 116.56 7.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.438 ' CD1' ' CD1' ' A' ' 97' ' ' LEU . 46.2 tp -109.6 127.62 54.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.6 m -112.89 -176.66 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m -77.97 163.37 26.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.3 -46.08 74.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 t -82.98 18.71 1.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.724 0.297 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -102.17 116.5 32.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.3 mt -110.99 20.33 17.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.0 p -156.79 138.71 14.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.452 ' HB3' ' CD1' ' A' ' 56' ' ' ILE . 25.5 tp60 -143.47 139.22 29.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.6 tp -105.17 115.25 29.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.6 mm -99.73 104.9 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -100.95 161.17 13.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.61 46.24 1.83 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.7 mt -120.39 173.31 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.39 153.33 28.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -72.64 160.72 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.46 55.82 5.82 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 87.7 m -151.93 133.22 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 0.0 111.145 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -81.72 143.5 31.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.41 ' CE1' ' HG2' ' A' ' 60' ' ' LYS . 66.2 m-85 -142.94 135.36 27.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -97.61 130.81 44.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -123.27 152.88 40.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.3 ptt85 -152.43 141.53 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.6 t -118.03 139.63 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.49 146.75 46.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.24 147.25 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.438 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 5.0 mt -129.61 143.45 50.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 70.2 p -139.02 178.8 6.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 19.0 tt -61.4 -24.87 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -72.01 -15.65 62.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.76 -120.57 1.96 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.425 HG23 ' CD2' ' A' ' 97' ' ' LEU . 16.8 p -113.61 173.0 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 111.149 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -128.16 -175.95 14.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.403 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.5 Cg_endo -69.79 164.25 35.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.234 . . . . 0.0 112.364 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.06 148.15 41.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 60.4 p -76.28 152.38 36.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -44.14 168.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -86.07 97.8 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.5 tp -92.93 118.83 31.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 97.0 p -92.01 135.08 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -130.97 129.18 41.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -99.26 117.91 34.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.2 p -63.95 170.78 3.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -85.48 126.04 33.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -48.7 -24.26 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.0 t -155.44 176.52 12.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.41 89.06 3.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.408 HD11 ' C ' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -127.64 115.75 19.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -94.27 126.51 39.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -101.44 149.14 24.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.5 t -124.23 142.55 51.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -124.95 157.6 35.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.3 m -114.38 144.22 31.33 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.61 0.719 . . . . 0.0 111.145 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -171.63 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -129.77 172.38 11.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.1 m -85.27 150.01 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.7 t -136.99 128.08 27.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -101.33 146.12 17.18 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -174.94 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.258 . . . . 0.0 112.326 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 53.1 p -174.94 167.3 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 49.1 m -137.05 176.4 8.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.518 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -138.52 141.92 39.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 0.0 110.863 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -80.2 -62.5 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.61 128.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -145.08 155.58 43.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.912 0.387 . . . . 0.0 110.818 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -64.35 178.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.1 165.03 15.03 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -54.44 168.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 81.4 t -114.04 148.07 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.87 170.12 11.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -156.53 141.76 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -126.63 89.25 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.7 p -137.78 143.46 41.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 mt -114.24 107.47 15.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.0 m -168.92 156.07 7.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' VAL . 74.8 m-20 -37.63 -65.02 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' ASP . 2.4 m -35.24 145.97 0.19 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.613 0.72 . . . . 0.0 111.155 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.41 57.05 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 2.264 . . . . 0.0 112.323 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -125.62 24.69 7.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.34 126.54 54.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.8 154.45 38.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.415 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.8 Cg_endo -69.76 145.58 57.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.652 2.234 . . . . 0.0 112.364 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -112.12 -176.35 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 53.39 37.88 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.7 tp -70.56 151.6 44.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 m -169.66 162.45 9.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.4 mt -132.98 103.6 6.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -88.39 87.69 7.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.505 HG11 ' CE2' ' A' ' 114' ' ' PHE . 62.0 t -55.8 92.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -64.93 -51.3 62.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -130.73 -175.82 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.2 p -79.57 -21.14 45.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.13 -2.09 14.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.8 t -126.73 157.15 39.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.412 HD13 ' CZ ' ' A' ' 92' ' ' PHE . 74.8 mt -152.3 120.72 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.1 tpp -89.05 133.17 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.407 ' CD1' HG23 ' A' ' 56' ' ' ILE . 14.5 mt -105.77 134.16 48.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -125.5 114.89 19.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.569 ' CH2' HD13 ' A' ' 56' ' ' ILE . 39.6 p90 -131.66 165.71 23.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 -126.51 151.88 73.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 143.45 50.83 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 171.02 15.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.46 152.21 56.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 111.043 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -38.6 7.58 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.52 -34.77 74.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 47' ' ' GLN . 82.8 p -80.55 -47.03 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' THR . 36.6 mt-30 -38.52 146.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -121.26 37.91 4.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.83 -163.34 26.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.532 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -93.68 131.92 38.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.729 0.3 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.6 mt -75.75 123.58 32.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.7 p -94.39 -43.46 8.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.83 -179.56 32.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.544 ' CD1' ' HA ' ' A' ' 96' ' ' ALA . 49.9 m-85 -131.84 124.5 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.965 0.412 . . . . 0.0 110.882 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -88.25 103.23 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.569 HD13 ' CH2' ' A' ' 39' ' ' TRP . 74.8 mt -103.22 112.7 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -114.11 156.16 24.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.423 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 40.4 p90 -157.3 144.54 18.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -132.87 167.48 20.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -85.48 126.7 34.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.2 -34.86 2.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.6 p -83.96 -45.18 13.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.0 tpt85 -110.58 92.62 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -71.54 -50.5 30.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.4 t -42.43 -31.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -83.21 104.61 13.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.7 t -128.66 145.41 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.8 m -120.72 132.32 55.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -95.68 137.1 35.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 78.9 m -130.57 125.1 33.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.54 130.01 52.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.5 m -124.86 179.31 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.9 t -85.42 157.23 20.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.89 -58.63 12.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -61.91 -14.24 32.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 0.0 111.145 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.489 ' NE2' ' OE1' ' A' ' 79' ' ' GLN . 28.9 tt0 -77.99 113.69 16.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.0 mt -104.88 13.11 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.4 p -141.02 157.69 44.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.489 ' OE1' ' NE2' ' A' ' 76' ' ' GLN . 34.9 tp60 -163.32 129.12 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.8 tp -98.26 118.06 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 50.2 mm -99.7 104.85 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -99.2 168.01 10.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.43 41.78 4.72 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 mt -119.49 161.1 21.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.1 142.11 30.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -66.61 158.76 29.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.78 56.35 11.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.536 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.5 m -156.29 137.6 13.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.712 0.292 . . . . 0.0 111.132 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -81.09 143.38 32.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -140.9 136.41 32.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -97.86 142.33 29.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 77.6 m-85 -134.97 157.65 46.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.488 ' CD ' ' CH2' ' A' ' 108' ' ' TRP . 8.4 ptm180 -155.55 127.71 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 86.7 t -104.36 134.13 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.78 137.57 41.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.544 ' HA ' ' CD1' ' A' ' 54' ' ' TYR . . . -83.1 149.73 26.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.45 ' CD2' HG21 ' A' ' 102' ' ' THR . 11.8 mt -121.71 146.14 47.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -141.86 169.85 16.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.4 tt -58.9 -22.21 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -76.92 -10.05 59.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.97 -122.62 3.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.45 HG21 ' CD2' ' A' ' 97' ' ' LEU . 30.9 p -109.56 161.02 15.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.83 0.348 . . . . 0.0 111.117 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -115.45 -174.38 17.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 152.75 69.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.09 137.27 52.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.415 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 69.5 p -62.44 157.67 19.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -51.26 169.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.488 ' CH2' ' CD ' ' A' ' 93' ' ' ARG . 31.6 m95 -79.07 92.4 5.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.2 tp -86.36 113.41 22.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.7 p -92.76 143.42 26.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -139.32 136.6 35.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -98.56 118.26 34.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.58 157.36 38.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.505 ' CE2' HG11 ' A' ' 29' ' ' VAL . 62.7 m-85 -67.25 122.9 18.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -49.07 -25.2 1.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 67.5 m -139.7 165.17 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -58.62 -42.29 87.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 20.5 tp -59.75 111.2 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.23 146.9 28.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -92.19 150.6 20.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 94.4 m -84.11 114.77 22.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -140.54 175.5 9.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 124' ' ' PRO . 88.3 t -128.86 138.73 33.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.558 0.694 . . . . 0.0 111.184 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 123' ' ' VAL . 53.6 Cg_endo -69.73 171.52 14.29 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -153.07 109.79 3.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 32.8 m -82.95 175.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.2 t -167.88 164.37 14.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -138.12 71.16 0.46 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 123.35 10.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.307 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.4 t -43.51 127.02 4.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 72.6 m -51.73 -53.62 37.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -145.85 177.87 8.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.87 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -87.2 177.41 7.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.27 -144.64 7.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -141.83 176.99 8.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -55.82 176.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.78 -117.85 2.35 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.56 175.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.0 t -119.17 3.0 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.9 117.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' ARG . 58.7 t -149.21 107.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' VAL . 31.6 ptt180 38.04 39.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.8 m -85.94 32.56 0.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.2 mt -68.89 -66.3 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.5 m -166.43 121.52 1.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.99 -52.6 62.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -38.0 154.25 0.12 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.578 0.704 . . . . 0.0 111.163 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HA ' ' ND2' ' A' ' 48' ' ' ASN . 53.8 Cg_endo -69.75 164.28 35.11 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.744 2.296 . . . . 0.0 112.33 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 t -131.22 20.46 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.422 ' C ' ' HG3' ' A' ' 104' ' ' PRO . . . -109.46 130.22 55.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.72 161.69 22.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.557 0.694 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 133.11 24.75 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.457 ' NE2' ' HA ' ' A' ' 42' ' ' PRO . 2.1 mp0 -99.49 175.32 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 59.25 38.52 23.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 tp -69.06 152.31 45.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -171.06 162.71 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 mt -133.52 101.19 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 30' ' ' ARG . 24.6 tp10 -84.07 93.28 8.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.41 80.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' GLU . 20.5 mmm180 -52.28 -51.58 57.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.406 ' ND2' ' OG ' ' A' ' 34' ' ' SER . 54.7 m-20 -138.64 178.91 6.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.2 p -72.97 -22.93 60.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.09 8.36 15.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.406 ' OG ' ' ND2' ' A' ' 31' ' ' ASN . 27.9 p -143.75 129.7 19.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.8 mt -128.15 114.99 36.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.454 ' SD ' ' CE1' ' A' ' 38' ' ' HIS . 5.2 ttm -80.53 146.87 31.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mt -116.69 127.92 74.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.454 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 95.1 m-70 -120.09 115.24 23.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.551 ' CZ3' HD13 ' A' ' 56' ' ' ILE . 33.1 p90 -135.17 158.84 43.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.446 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -117.83 154.3 51.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.634 0.73 . . . . 0.0 110.878 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 144.36 54.01 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.729 2.286 . . . . 0.0 112.315 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.457 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.82 165.16 31.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.75 152.76 34.92 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.582 0.706 . . . . 0.0 111.11 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -46.16 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.385 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.14 -16.33 12.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.1 p -100.86 -18.22 16.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -73.1 114.81 11.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' A' ' 18' ' ' PRO . 9.0 m-20 -87.67 28.93 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 151.14 -171.2 30.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -87.09 137.98 31.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.5 mt -80.01 131.92 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.9 p -102.68 -25.25 13.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.55 170.41 39.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.53 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -120.18 133.55 55.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.941 0.401 . . . . 0.0 110.877 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -95.86 102.41 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.551 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 54.8 mt -97.7 127.26 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.5 mtp85 -126.12 147.41 49.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.561 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 52.8 p90 -147.37 142.33 26.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.535 ' NH2' ' CE2' ' A' ' 108' ' ' TRP . 22.7 ptt180 -140.27 177.56 7.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -93.71 135.12 35.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.45 -43.1 16.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -79.53 -52.21 8.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -99.26 84.6 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -73.88 -39.39 63.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 m -43.16 -54.64 4.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -68.13 107.33 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -124.99 152.03 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 49.8 m -114.05 144.88 42.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -108.34 119.71 40.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 m -131.3 103.04 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 72' ' ' VAL . 1.2 tt -100.41 130.04 46.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.489 ' CG1' ' OE1' ' A' ' 79' ' ' GLN . 5.9 m -110.95 179.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 t -69.48 163.69 24.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.77 -39.39 93.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -85.06 1.8 46.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.755 0.312 . . . . 0.0 111.169 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.445 ' NE2' HG11 ' A' ' 72' ' ' VAL . 30.6 tt0 -86.66 117.71 25.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.2 mt -113.55 24.94 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.1 p -158.7 148.58 19.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.816 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.489 ' OE1' ' CG1' ' A' ' 72' ' ' VAL . 51.0 tp60 -150.97 155.08 38.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.451 ' N ' ' HG3' ' A' ' 79' ' ' GLN . 26.7 tp -121.06 113.61 20.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.543 HG22 ' CE1' ' A' ' 58' ' ' TYR . 14.1 mm -95.63 93.44 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -91.49 155.08 18.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.61 48.12 2.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.466 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 27.2 mt -115.8 -177.05 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -117.89 140.03 50.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -66.26 163.77 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.59 56.57 2.0 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 76.6 m -154.56 126.38 7.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.105 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -65.21 141.79 58.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.466 ' CE2' ' HB3' ' A' ' 84' ' ' LEU . 36.7 m-85 -138.45 135.5 35.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -97.73 150.49 21.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 74.2 m-85 -148.85 145.89 27.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -148.25 135.98 20.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.7 t -113.11 133.89 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.33 147.35 52.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.95 147.62 22.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.8 mt -125.43 136.69 53.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.4 p -137.34 175.5 9.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.5 tt -59.73 -23.01 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -73.94 -14.62 61.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 132.3 -125.23 4.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.36 154.21 20.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -109.43 -166.76 20.25 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.422 ' HG3' ' C ' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.8 168.47 21.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.234 . . . . 0.0 112.337 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -127.35 135.8 51.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 50.3 p -65.33 147.91 52.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.46 138.65 39.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.535 ' CE2' ' NH2' ' A' ' 59' ' ' ARG . 49.3 m95 -52.17 106.33 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.3 tp -101.28 116.84 33.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.8 m -89.78 142.77 27.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -137.07 138.63 40.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -104.32 118.09 35.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.2 p -69.72 165.65 20.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 116' ' ' SER . 63.8 m-85 -77.01 126.27 30.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -41.91 -24.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 114' ' ' PHE . 2.1 m -168.0 135.93 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -51.78 93.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 25.8 tp -106.19 120.14 41.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -55.51 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -73.95 138.87 44.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 91.5 m -97.54 127.63 43.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -153.92 143.48 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 4.1 m -113.03 85.71 8.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.626 0.726 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -177.32 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.73 2.287 . . . . 0.0 112.303 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -70.44 161.62 30.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 11.8 p -112.03 146.08 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.3 m -137.41 175.03 9.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -135.06 83.4 0.28 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -176.14 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.1 t -140.99 166.45 24.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 t -136.97 177.52 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 3' ' ' SER . 28.3 p -116.55 177.94 4.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.373 . . . . 0.0 110.867 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 2' ' ' SER . 60.1 p -35.67 151.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.833 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.06 174.9 25.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.528 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -113.79 165.3 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.354 . . . . 0.0 110.873 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 p -59.68 150.27 28.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.25 -137.25 8.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.413 ' C ' HG22 ' A' ' 9' ' ' VAL . 3.0 p30 -55.22 169.07 0.28 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.828 0.347 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.413 HG22 ' C ' ' A' ' 8' ' ' ASP . 97.0 t -152.88 137.62 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 64.64 43.77 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.077 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -63.99 138.5 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -129.86 116.07 18.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.4 p -125.59 160.14 30.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mp -84.44 151.02 24.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -142.74 161.16 38.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -77.08 -53.17 8.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -37.94 153.22 0.14 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.642 0.734 . . . . 0.0 111.141 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 155.46 66.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -120.87 12.76 11.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.452 ' C ' ' CG ' ' A' ' 104' ' ' PRO . . . -105.28 127.88 53.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.2 162.81 18.49 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 111.094 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.43 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.8 Cg_endo -69.76 142.85 49.05 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -108.89 178.49 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 58.6 34.37 23.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.431 HD22 ' CB ' ' A' ' 106' ' ' THR . 59.0 tp -65.2 152.72 42.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -171.38 162.92 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.453 ' CD2' HG21 ' A' ' 37' ' ' ILE . 26.7 mt -133.72 98.96 4.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' MET . 8.6 tp10 -83.53 90.35 7.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.7 t -57.21 84.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 28' ' ' GLU . 48.3 mmm-85 -53.53 -50.08 66.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -141.1 -175.65 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.8 m -78.66 -7.85 58.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -128.93 4.51 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.2 p -141.63 125.08 16.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.9 mt -122.61 121.09 62.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.5 ttm -88.96 139.75 30.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.453 HG21 ' CD2' ' A' ' 27' ' ' LEU . 4.1 mt -111.47 131.98 61.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -123.62 118.64 27.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.465 ' CZ3' HD13 ' A' ' 56' ' ' ILE . 39.1 p90 -136.85 168.94 18.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -128.31 153.21 78.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.59 0.71 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.437 ' HD3' ' CD1' ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.76 144.28 53.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 163.48 38.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.35 152.5 23.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -40.57 5.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.08 -47.55 74.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 47' ' ' GLN . 25.4 p -68.58 -51.81 38.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' THR . 39.7 mt-30 -36.74 133.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -103.09 33.53 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 146.52 -153.78 25.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -99.12 150.69 21.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.322 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.2 mt -96.87 133.89 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.9 p -104.55 -35.12 7.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.06 176.8 45.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -123.7 157.3 34.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.911 0.386 . . . . 0.0 110.953 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -116.24 104.89 11.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.465 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 82.9 mt -97.88 104.19 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -111.63 136.37 50.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.482 ' CZ ' ' HB ' ' A' ' 68' ' ' THR . 21.9 p90 -135.08 144.74 47.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -134.02 178.88 6.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -101.36 135.9 42.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.32 -58.33 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.1 t -57.69 -56.27 24.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -99.0 89.95 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.87 42.94 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 m -130.74 -33.38 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -88.65 99.62 12.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.71 135.01 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.482 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 84.7 m -106.43 141.06 38.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.19 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -98.99 136.3 39.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.2 m -131.06 119.3 21.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.82 139.05 35.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.437 HG11 ' NE2' ' A' ' 79' ' ' GLN . 31.0 m -129.87 172.81 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.9 t -75.51 153.96 37.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.52 -44.99 97.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.6 t -79.48 4.79 14.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.73 0.3 . . . . 0.0 111.135 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -97.51 109.65 22.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.437 ' CD1' ' HD3' ' A' ' 41' ' ' PRO . 77.1 mt -103.34 18.83 20.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.9 p -148.39 143.0 26.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 80' ' ' LEU . 3.9 tp-100 -146.83 156.2 42.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.444 ' N ' ' HG3' ' A' ' 79' ' ' GLN . 27.4 tp -123.86 110.22 14.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.6 mm -95.39 107.57 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -103.3 162.64 12.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.34 43.66 3.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mt -122.77 160.45 25.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -93.22 151.03 20.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.1 165.82 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.1 50.41 4.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.7 m -146.44 132.17 18.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -75.75 145.24 40.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -142.7 143.27 32.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -100.13 144.89 28.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.443 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 75.7 m-85 -141.29 142.99 33.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.434 ' HD2' ' CZ2' ' A' ' 108' ' ' TRP . 11.3 ptm180 -145.41 124.68 12.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 94.8 t -103.38 134.72 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.75 151.78 51.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.04 142.88 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.8 mt -118.55 129.81 55.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.0 p -129.3 178.12 6.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.7 tt -61.58 -22.23 27.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -75.18 -13.6 60.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 130.5 -120.54 3.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.74 147.05 29.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.351 . . . . 0.0 111.078 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -105.89 -172.91 23.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.484 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.452 ' CG ' ' C ' ' A' ' 20' ' ' ALA . 54.4 Cg_endo -69.76 158.26 57.57 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.243 . . . . 0.0 112.366 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.72 142.15 48.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.431 ' CB ' HD22 ' A' ' 25' ' ' LEU . 63.9 p -65.24 147.14 53.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.83 134.23 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.434 ' CZ2' ' HD2' ' A' ' 93' ' ' ARG . 45.3 m95 -45.8 109.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.9 tp -102.85 113.5 26.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.2 m -84.52 147.46 27.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.1 131.58 18.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -101.49 113.86 27.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.24 169.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.44 ' O ' ' N ' ' A' ' 116' ' ' SER . 7.7 m-85 -76.7 118.4 19.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -41.96 -24.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 114' ' ' PHE . 4.8 m -149.68 179.39 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -84.43 101.45 12.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.1 tp -127.37 105.43 8.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.22 150.81 47.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -99.12 118.61 36.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 36.4 p -75.14 176.05 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.5 mtp85 -138.96 -175.71 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 8.4 p -138.91 127.81 14.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 111.141 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 178.88 4.12 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 126' ' ' VAL . 5.4 tp10 -115.41 100.92 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 125' ' ' GLU . 89.1 t -33.86 138.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.086 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 58.8 m -52.23 164.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -94.69 -158.07 33.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -165.87 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.613 2.209 . . . . 0.0 112.372 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.7 t -126.09 176.78 6.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.5 m -74.36 168.47 19.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.539 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.5 p -157.05 157.36 34.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.901 0.381 . . . . 0.0 110.808 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 p -170.95 173.36 5.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.829 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.5 -101.56 0.2 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.427 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t 49.59 42.7 23.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.817 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -96.69 172.54 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.89 171.0 28.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.73 167.44 23.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.876 0.37 . . . . 0.0 110.812 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.8 t -131.82 118.02 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.25 125.84 27.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -75.74 170.88 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -112.31 116.73 30.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.8 t -56.59 146.21 25.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.5 mt -103.09 88.12 3.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 p -99.76 161.09 13.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -56.31 -61.54 2.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -41.51 153.34 0.26 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.639 0.733 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 148.39 65.24 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 t -125.47 48.12 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.471 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -136.31 131.93 35.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.95 155.49 43.21 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.559 0.695 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 135.77 31.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -101.84 176.09 5.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 59.76 35.66 22.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.6 tp -63.62 140.43 58.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.0 m -156.66 161.78 39.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 mt -135.35 105.65 6.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' ARG . 25.4 tp10 -91.11 79.95 5.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.0 t -45.61 92.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' GLU . 47.8 mmm-85 -61.62 -54.78 38.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -137.17 -177.42 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.8 p -72.0 -26.31 62.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -113.8 8.05 17.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.2 p -138.43 131.15 29.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.4 mt -130.65 111.99 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.5 ttm -83.66 130.17 34.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.834 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.471 ' CD1' HG23 ' A' ' 56' ' ' ILE . 5.0 mt -104.49 130.64 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.092 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -125.56 116.63 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 39.0 p90 -133.06 168.81 17.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -118.51 147.61 42.32 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.458 ' HD3' ' CD1' ' A' ' 77' ' ' LEU . 54.2 Cg_endo -69.75 144.96 55.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 171.15 15.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.721 2.281 . . . . 0.0 112.311 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.72 148.47 26.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.611 0.719 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -8.77 24.44 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.22 -25.76 15.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' ASN . 22.0 p -92.37 -32.76 14.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 46' ' ' THR . 46.6 mt-30 -33.15 -35.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 46' ' ' THR . 20.0 t-20 63.48 25.71 14.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.32 172.24 13.06 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -64.49 145.06 56.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.311 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.5 mt -91.39 128.45 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.9 p -91.95 -34.68 14.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.413 ' HA2' ' C ' ' A' ' 73' ' ' SER . . . -176.55 159.01 25.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -106.87 124.69 49.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.947 0.403 . . . . 0.0 110.928 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -90.14 113.86 25.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.471 HG23 ' CD1' ' A' ' 37' ' ' ILE . 69.0 mt -101.09 107.47 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -107.97 141.7 39.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.437 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 16.8 p90 -149.19 152.25 35.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.54 ' NH2' ' CD1' ' A' ' 108' ' ' TRP . 17.0 ptt180 -140.62 179.08 6.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -92.21 137.14 32.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.43 -23.4 9.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.7 t -90.83 -41.31 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -119.75 109.7 15.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.838 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' SER . 0.9 OUTLIER -88.69 -50.19 6.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LYS . 89.4 p -37.14 -42.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -80.57 110.19 15.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.9 t -124.44 151.79 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.6 m -122.91 128.75 50.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.416 ' CD ' ' C ' ' A' ' 69' ' ' GLU . 4.4 tm-20 -86.52 140.91 29.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.7 m -147.78 105.17 3.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.459 ' CD2' HD12 ' A' ' 97' ' ' LEU . 13.3 mt -92.82 162.91 13.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.454 ' CG1' ' OE1' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -130.32 -77.42 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.413 ' C ' ' HA2' ' A' ' 53' ' ' GLY . 0.9 OUTLIER -172.55 169.06 5.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.76 -47.37 83.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -102.83 35.04 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 0.0 111.168 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.442 ' NE2' HG11 ' A' ' 72' ' ' VAL . 18.5 tt0 -111.47 114.23 27.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.458 ' CD1' ' HD3' ' A' ' 41' ' ' PRO . 21.1 mt -108.76 27.12 9.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.2 p -153.07 155.15 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.454 ' OE1' ' CG1' ' A' ' 72' ' ' VAL . 33.8 tp60 -164.16 154.2 14.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.9 tp -122.23 112.55 18.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 28.6 mm -96.98 98.48 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -95.13 168.81 10.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.0 40.96 7.32 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mt -114.07 171.53 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.43 155.65 18.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -80.97 160.1 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 43.64 52.53 6.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.9 m -146.31 120.71 9.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.099 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -65.11 143.4 57.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -142.98 135.02 27.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.409 ' HB3' ' CE3' ' A' ' 108' ' ' TRP . 1.5 m-80 -97.9 129.49 44.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.437 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 97.6 m-85 -124.16 152.83 42.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.566 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 7.3 ptp180 -153.54 134.59 13.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.808 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.0 t -103.69 141.3 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.54 147.74 39.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.38 150.26 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.459 HD12 ' CD2' ' A' ' 71' ' ' LEU . 10.3 mt -130.04 142.85 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.41 HG22 ' C ' ' A' ' 97' ' ' LEU . 67.2 p -140.64 176.19 8.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.7 tp -54.99 -35.93 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -60.33 -20.53 59.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.31 -118.45 1.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.441 HG21 ' CD2' ' A' ' 97' ' ' LEU . 21.9 p -110.28 164.53 12.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 111.17 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -119.36 -174.88 15.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.471 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.7 Cg_endo -69.8 169.34 19.2 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.697 2.264 . . . . 0.0 112.306 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.99 147.71 50.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.057 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 69.4 p -76.71 161.27 28.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -51.12 169.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.566 ' CZ3' ' HG2' ' A' ' 93' ' ' ARG . 24.9 m95 -87.15 95.43 9.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.5 tp -86.79 117.55 25.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.5 p -88.19 133.63 33.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -133.06 130.91 39.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -104.84 116.64 32.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.67 167.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -79.67 121.37 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -42.58 -30.45 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.2 t -139.83 148.74 42.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.33 85.1 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.49 110.5 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -64.9 102.18 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -85.31 138.64 32.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 61.9 m -104.4 139.15 39.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.09 173.45 11.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 25.8 m -115.44 137.71 23.27 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -177.43 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -141.75 125.93 17.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.9 p -95.61 129.37 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 60.3 p -107.76 176.98 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -134.7 163.44 24.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 162.42 42.11 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.688 2.258 . . . . 0.0 112.381 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 131' ' ' SER . 61.3 p -108.5 -55.54 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 130' ' ' SER . 8.7 t -35.91 148.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.9 p -131.76 174.31 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.372 . . . . 0.0 110.882 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 m -111.7 165.98 11.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.05 111.89 0.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -94.76 -48.65 5.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.824 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -171.23 177.63 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.48 41.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -111.55 80.96 1.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.1 t -111.3 122.67 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -166.65 114.34 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -164.97 120.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -144.47 125.67 14.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.415 ' C ' HD11 ' A' ' 14' ' ' LEU . 17.2 p -151.17 149.69 29.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.415 HD11 ' C ' ' A' ' 13' ' ' THR . 3.8 mp -147.75 133.43 18.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.9 p -174.63 172.8 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -82.53 46.39 1.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.7 m -92.9 153.72 41.97 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.634 0.73 . . . . 0.0 111.101 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 84.13 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.7 p -72.09 69.39 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.401 ' CB ' ' HB ' ' A' ' 46' ' ' THR . . . -169.69 115.43 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.469 ' CB ' ' HD2' ' A' ' 22' ' ' PRO . . . -92.97 168.86 11.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.568 0.699 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HD2' ' CB ' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.68 151.57 69.54 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.731 2.287 . . . . 0.0 112.343 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -116.5 177.29 4.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 57.56 28.31 15.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.2 tp -58.11 147.24 30.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.0 m -162.34 162.3 27.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.9 mt -134.8 99.4 4.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -85.1 87.31 7.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.6 t -52.41 108.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.461 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 3.3 mmp_? -78.47 -54.34 6.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -138.38 173.11 11.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.5 p -67.97 -14.98 63.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -120.43 8.21 10.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -147.92 139.26 23.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.4 mt -134.3 122.33 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.461 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 6.1 tpt -84.15 131.91 34.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.461 ' CD1' HG23 ' A' ' 56' ' ' ILE . 2.9 mt -103.94 140.01 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.413 ' NE2' ' HG2' ' A' ' 36' ' ' MET . 90.1 m-70 -134.97 115.2 13.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.51 ' CH2' HD11 ' A' ' 56' ' ' ILE . 28.8 p90 -135.42 155.94 49.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -116.08 152.7 48.01 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.586 0.707 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 145.45 57.56 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 168.24 22.18 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.701 2.267 . . . . 0.0 112.38 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.84 152.55 48.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.579 0.704 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -38.76 7.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.68 -39.74 71.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.401 ' HB ' ' CB ' ' A' ' 20' ' ' ALA . 6.7 p -76.46 -50.34 14.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -48.96 107.38 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.08 33.6 3.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.62 172.83 45.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.448 ' OE1' ' C ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -89.91 117.8 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.331 . . . . 0.0 110.914 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.496 HG22 ' CZ ' ' A' ' 54' ' ' TYR . 89.1 mt -68.16 114.52 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.5 p -94.63 -23.07 17.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.32 166.83 32.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.496 ' CZ ' HG22 ' A' ' 51' ' ' ILE . 45.0 m-85 -117.5 159.78 22.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.947 0.404 . . . . 0.0 110.928 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' HD2' ' CD2' ' A' ' 97' ' ' LEU . 24.9 mttp -120.8 118.3 29.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.51 HD11 ' CH2' ' A' ' 39' ' ' TRP . 29.4 mt -104.35 106.01 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -104.3 130.86 52.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.444 ' CE1' ' HB ' ' A' ' 68' ' ' THR . 7.7 p90 -136.39 153.79 51.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.622 ' NH2' ' CD1' ' A' ' 108' ' ' TRP . 23.5 ptt180 -143.96 175.86 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' ALA . 34.4 mttp -101.49 125.15 48.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' LYS . . . -37.66 -42.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.2 t -73.02 -55.77 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -106.76 82.32 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -73.1 -46.1 53.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.964 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -38.58 -41.25 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -83.29 111.38 18.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 68' ' ' THR . 11.1 t -124.15 153.75 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.444 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 10.0 m -119.11 146.35 45.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.168 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -106.58 140.15 39.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.8 m -143.06 107.74 4.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.3 tp -92.42 146.94 23.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.9 m -129.9 -179.17 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 t -75.31 152.38 38.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.46 -27.57 66.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -97.2 14.28 26.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 111.149 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -96.6 125.48 41.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.2 mt -113.25 7.91 17.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.5 m -155.95 152.63 28.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -148.93 150.81 33.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.1 tp -111.24 122.08 46.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.6 mm -103.73 97.2 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -88.04 160.33 17.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.84 47.49 3.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.1 mt -116.31 171.51 7.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.746 0.308 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -105.47 160.08 15.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -85.8 158.68 19.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.8 56.83 3.6 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.427 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.4 m -149.72 134.72 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.722 0.296 . . . . 0.0 111.15 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -73.66 136.6 43.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.454 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . 47.0 m-85 -134.89 132.21 38.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -96.9 141.67 29.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.454 ' CE1' ' HB3' ' A' ' 90' ' ' TYR . 71.0 m-85 -139.72 152.04 46.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.474 ' HD3' ' CZ2' ' A' ' 108' ' ' TRP . 12.3 ptt180 -155.81 130.73 9.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.0 t -105.47 137.17 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.38 140.05 48.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.23 148.0 24.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.405 ' CD2' ' HD2' ' A' ' 55' ' ' LYS . 5.7 mt -128.22 142.4 51.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.5 p -142.13 170.5 15.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.7 tt -54.95 -29.77 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.159 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -65.41 -20.41 66.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 143.53 -110.83 0.61 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.471 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.1 p -121.65 178.22 4.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -134.02 -177.92 15.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.466 ' HG2' ' CA ' ' A' ' 21' ' ' ALA . 53.8 Cg_endo -69.75 159.72 52.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.41 139.95 49.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.069 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.463 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 73.2 p -68.86 134.36 49.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.3 OUTLIER -36.34 142.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.622 ' CD1' ' NH2' ' A' ' 59' ' ' ARG . 67.2 m95 -56.65 98.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.5 tp -89.09 116.22 27.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.8 p -90.73 147.88 22.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.37 129.15 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -97.99 113.94 25.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 p -58.32 178.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -87.69 125.18 34.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -45.65 -31.54 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.1 t -147.57 161.58 40.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.57 -46.17 87.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.8 mt -48.01 98.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -100.81 42.46 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -59.67 149.1 31.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.7 t -104.92 164.2 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -105.7 164.75 11.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.3 m -74.64 138.58 73.93 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.646 0.736 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 170.11 17.34 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -145.4 105.6 4.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.6 p -128.37 143.84 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.6 m -133.32 99.36 4.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -129.95 91.05 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 177.31 5.72 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.0 t -152.23 172.86 15.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.8 m -123.66 -58.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.54 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -49.38 175.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -138.66 158.53 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.838 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.17 -161.19 6.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.472 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -153.72 159.86 42.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.848 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -150.93 163.45 38.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.78 -155.73 7.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -130.95 122.23 26.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 1.7 p -39.66 154.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.423 ' N ' ' CG2' ' A' ' 9' ' ' VAL . . . -134.28 86.64 2.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -75.52 126.91 36.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -120.83 139.08 53.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.404 HG21 ' N ' ' A' ' 14' ' ' LEU . 87.9 m -102.48 136.26 42.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.404 ' N ' HG21 ' A' ' 13' ' ' THR . 11.4 mt -67.77 99.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 84.9 p -152.2 129.08 10.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.52 -25.37 66.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 m -63.49 147.49 95.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.657 0.741 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 81.19 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.25 . . . . 0.0 112.336 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 t -71.45 69.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -174.54 121.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.072 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' N ' ' HG2' ' A' ' 104' ' ' PRO . . . -89.51 163.55 32.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.523 0.678 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.7 Cg_endo -69.8 142.48 47.89 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.642 2.228 . . . . 0.0 112.364 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 42' ' ' PRO . 2.5 mp0 -103.71 177.54 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 54.63 45.73 26.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.4 tp -74.03 148.99 41.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.7 m -162.78 159.97 24.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.413 ' HG ' ' CD2' ' A' ' 109' ' ' LEU . 19.4 mt -131.14 96.63 4.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -82.1 91.91 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.485 HG12 ' CE2' ' A' ' 114' ' ' PHE . 22.5 t -62.61 95.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 mmm-85 -70.32 -47.35 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.9 169.44 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 m -69.62 -10.66 59.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -114.88 -12.02 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.0 t -125.32 156.25 38.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.0 mt -151.51 108.47 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.9 tpp -77.91 141.43 39.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.1 mt -117.43 120.59 65.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -112.55 116.39 30.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.441 ' CG ' HG13 ' A' ' 94' ' ' VAL . 34.1 p90 -133.4 154.86 50.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -110.52 152.6 43.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.712 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 144.64 54.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.419 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 54.5 Cg_endo -69.69 170.97 15.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.403 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.08 152.18 22.75 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.553 0.692 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -29.83 22.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.299 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.78 -14.44 61.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.1 p -118.39 45.05 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -121.02 -27.89 4.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 38.65 32.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.37 -171.1 28.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -101.12 144.63 29.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 80.2 mt -81.17 131.02 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.3 p -95.84 -34.22 11.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.0 162.57 33.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -108.78 138.38 45.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.934 0.397 . . . . 0.0 110.886 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.488 ' CE ' ' CD ' ' A' ' 69' ' ' GLU . 23.6 tttt -100.76 99.23 9.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.408 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 37.1 mt -93.2 111.93 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -112.36 136.32 51.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -135.45 143.83 46.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.412 ' NH1' ' OD1' ' A' ' 91' ' ' ASN . 18.3 ptt85 -132.24 174.76 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -103.14 124.9 49.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.43 -46.71 13.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.1 t -65.49 -54.56 26.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -108.16 63.91 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -39.78 -49.28 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.1 m -45.28 -41.11 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.96 94.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.807 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.6 p -129.08 142.16 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.3 m -116.62 141.24 48.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.488 ' CD ' ' CE ' ' A' ' 55' ' ' LYS . 11.7 tt0 -99.88 133.25 44.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.3 m -128.62 127.34 42.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.5 tp -107.4 146.74 31.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.1 m -138.05 179.63 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.176 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 m -73.59 166.73 22.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -77.19 -40.55 24.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.2 t -80.79 -1.84 44.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.722 0.296 . . . . 0.0 111.173 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.452 ' NE2' ' OE1' ' A' ' 79' ' ' GLN . 30.6 tt0 -90.84 113.43 25.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.8 mt -102.79 12.72 35.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.443 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 96.6 p -142.26 153.54 44.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.452 ' OE1' ' NE2' ' A' ' 76' ' ' GLN . 40.0 tp60 -157.32 140.31 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.9 tp -107.99 117.82 35.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.2 mm -101.66 102.38 13.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -95.01 166.66 11.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.81 51.14 3.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.1 mt -117.42 171.26 8.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -108.11 129.87 55.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -57.69 157.29 7.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.25 51.55 7.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.2 m -145.3 124.48 12.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.758 0.313 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -69.34 128.55 36.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -127.64 134.8 49.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.983 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.488 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -99.22 147.82 24.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 91' ' ' ASN . 5.3 m-85 -142.69 154.87 44.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.563 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 8.4 ptm180 -150.5 125.21 9.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.441 HG13 ' CG ' ' A' ' 39' ' ' TRP . 97.1 t -103.19 133.71 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.63 142.2 45.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -87.53 139.77 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.404 ' C ' HG21 ' A' ' 98' ' ' THR . 6.2 mt -121.43 140.2 52.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.404 HG21 ' C ' ' A' ' 97' ' ' LEU . 43.6 p -138.95 173.67 11.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 tt -56.55 -32.36 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.09 -17.54 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.76 -133.03 5.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 36.3 p -109.2 168.94 9.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.346 . . . . 0.0 111.185 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -123.07 179.0 16.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.451 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.75 151.0 69.02 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.313 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.39 130.11 55.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 75.3 p -50.13 165.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.21 169.82 0.78 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.563 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 29.3 m95 -80.07 91.46 5.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.413 ' CD2' ' HG ' ' A' ' 27' ' ' LEU . 8.9 tp -85.97 111.77 20.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.1 m -90.45 138.62 31.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -134.76 130.92 36.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -98.14 113.04 24.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.24 166.18 3.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.485 ' CE2' HG12 ' A' ' 29' ' ' VAL . 66.5 m-85 -75.9 126.35 30.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -46.55 -23.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.1 t -145.73 146.01 31.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.09 -44.19 71.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.26 91.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.438 ' OD2' ' CD2' ' A' ' 114' ' ' PHE . 20.0 m-20 -107.56 123.17 48.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -100.72 91.77 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 53.1 m -129.02 102.39 6.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -57.99 130.0 44.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.0 t -97.26 126.29 42.47 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.655 0.741 . . . . 0.0 111.073 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 163.21 39.16 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -102.22 108.65 20.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.8 p -142.44 121.14 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.114 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.4 t -97.81 163.82 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -138.32 135.1 7.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -171.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.645 2.23 . . . . 0.0 112.333 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 83.4 p -128.8 163.71 24.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.0 m -107.54 142.57 37.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.813 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.54 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -105.13 142.57 34.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -120.37 145.21 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.45 50.17 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.469 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.7 p -90.3 113.54 25.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.89 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 p -113.32 134.05 54.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.9 -139.92 6.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -169.73 140.03 2.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.893 0.378 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.9 t -143.92 140.65 25.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.34 71.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 79.2 t -142.6 116.05 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -90.9 87.17 6.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.6 p -102.42 142.68 33.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.93 -24.92 17.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 t -145.89 155.11 42.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.808 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -80.52 -54.4 5.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.1 m -46.41 153.3 0.75 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 146.62 61.07 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.268 . . . . 0.0 112.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.3 m -124.19 47.27 2.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.447 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -151.01 113.97 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.88 163.95 51.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.705 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 133.65 25.96 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -97.24 -175.33 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 52.86 38.84 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.7 tp -73.14 153.55 40.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -170.47 161.85 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.3 mt -131.29 98.16 4.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -85.29 84.51 7.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.9 t -52.55 94.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -65.11 -48.74 72.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -138.97 -175.65 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.8 p -76.81 -34.13 57.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.8 14.73 31.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.1 t -146.97 153.39 40.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.9 mt -149.8 110.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.457 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 3.3 ttm -78.33 143.79 36.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.2 mt -118.5 133.48 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.457 ' CD2' ' HG2' ' A' ' 36' ' ' MET . 90.7 m-70 -126.16 118.0 24.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.571 ' CZ3' HD12 ' A' ' 56' ' ' ILE . 41.3 p90 -131.98 176.65 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -134.88 152.11 76.82 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 140.69 43.28 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 170.96 15.3 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.277 . . . . 0.0 112.382 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.1 152.22 15.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.582 0.706 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -29.53 23.68 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.31 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.17 -30.69 65.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.1 p -100.13 39.28 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -110.48 -51.62 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 63.06 35.56 12.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 145.72 -173.95 25.88 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -101.14 137.74 39.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.1 mt -74.84 142.52 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.5 p -112.34 -42.7 3.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.11 166.68 38.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -111.9 148.59 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 0.0 110.967 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -114.32 91.73 3.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.571 HD12 ' CZ3' ' A' ' 39' ' ' TRP . 58.7 mt -85.96 121.34 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -121.08 136.81 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.568 ' CE1' ' HB ' ' A' ' 68' ' ' THR . 11.7 p90 -137.3 147.83 45.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -141.25 163.19 33.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -79.6 141.73 36.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.2 13.52 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.2 m -120.56 -31.58 4.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.0 ttt85 -105.26 -32.87 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 40.45 36.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -134.34 -38.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -88.75 113.31 24.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.4 t -121.33 143.12 34.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.568 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 34.6 m -115.07 140.92 48.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' N ' HG23 ' A' ' 68' ' ' THR . 8.6 tm-20 -98.57 131.49 44.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.0 m -126.39 110.28 13.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.493 HD11 ' N ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -95.53 129.56 42.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.493 ' N ' HD11 ' A' ' 71' ' ' LEU . 30.5 m -125.5 176.65 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.6 t -75.58 156.28 35.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.51 -58.39 14.59 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t -58.84 -32.1 69.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.723 0.297 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -60.78 114.87 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.402 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 77.9 mt -106.01 25.48 10.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.562 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 48.0 m -158.65 164.16 36.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -162.19 141.65 9.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 tp -102.76 110.25 22.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.5 mm -90.18 98.5 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -96.03 165.66 12.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.82 44.39 4.52 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.1 mt -119.3 172.5 7.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -109.66 155.98 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.0 ptt85 -79.09 158.17 27.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.06 53.51 18.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.6 m -150.19 129.12 12.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.762 0.315 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.417 ' CG ' ' OG ' ' A' ' 110' ' ' SER . 31.7 tt0 -75.5 138.85 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -137.36 149.73 47.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -111.03 145.03 39.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.53 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 76.8 m-85 -139.48 153.47 47.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.476 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 4.6 ptm85 -156.86 130.08 7.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 94.6 t -102.82 148.24 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.7 140.5 27.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.048 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.2 146.93 23.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.3 mt -123.78 137.93 54.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 47.8 p -137.14 170.28 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.0 tt -56.98 -19.32 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -72.66 -15.11 61.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 134.64 -104.28 0.51 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 m -128.92 151.0 50.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 111.164 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -107.92 -177.82 22.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.447 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.3 Cg_endo -69.78 166.0 29.09 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.329 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -127.69 125.59 40.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.061 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 77.0 p -46.24 160.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -57.32 177.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.476 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 25.9 m95 -87.18 99.02 11.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.1 tp -97.37 114.03 25.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.417 ' OG ' ' CG ' ' A' ' 89' ' ' GLU . 5.6 t -88.95 154.49 20.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.07 130.0 14.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -98.31 117.08 31.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.9 p -62.35 168.96 3.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 115' ' ' GLU . 70.5 m-85 -81.8 120.96 25.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 114' ' ' PHE . 54.7 mt-10 -37.16 -37.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.8 m -136.16 174.73 10.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -92.8 92.44 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 tt -126.08 113.61 17.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -51.83 104.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.827 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -117.98 41.5 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 75.8 p -75.02 151.74 38.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.16 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.4 ptt85 -107.99 166.04 11.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.4 p -91.28 122.14 66.65 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 139.36 39.82 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -110.21 133.02 53.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 28.2 m -97.77 133.38 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.6 m -162.12 128.59 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 123.48 151.81 8.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -174.57 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.735 2.29 . . . . 0.0 112.321 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.4 t -144.63 158.89 43.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 86.0 p -162.38 172.54 15.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 t -107.86 138.91 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -173.81 154.19 2.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.04 169.75 36.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.2 m -112.5 111.98 23.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 110.822 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -94.79 173.99 7.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.31 76.33 1.0 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -157.56 120.91 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.5 t -93.54 83.64 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.0 124.17 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.2 p -97.66 125.96 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.3 mtp85 -97.07 -46.63 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.0 p -116.25 104.96 12.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.4 -42.56 65.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.5 p -144.0 163.65 32.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -42.53 -58.9 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.6 m -47.03 150.6 1.32 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.61 0.719 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.5 63.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.268 . . . . 0.0 112.337 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.0 t -117.25 33.64 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.491 ' C ' ' CG ' ' A' ' 104' ' ' PRO . . . -129.09 134.86 48.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.99 163.86 19.82 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.582 0.706 . . . . 0.0 111.099 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.5 Cg_endo -69.76 142.37 47.74 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.268 . . . . 0.0 112.333 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -110.23 -175.53 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 53.78 29.1 9.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.1 tp -59.79 156.13 14.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.0 m -173.02 161.85 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.9 mt -133.79 102.74 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -87.69 87.91 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -53.05 105.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.464 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 10.7 mmm180 -78.59 -45.16 22.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -137.21 -175.7 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.5 p -81.7 -16.18 52.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.37 -10.41 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 p -124.15 142.42 51.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -134.46 129.1 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.464 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 6.1 tpt -89.35 137.74 32.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.448 HD13 ' CG1' ' A' ' 81' ' ' ILE . 4.2 mt -114.38 122.52 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -120.76 120.44 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.424 ' CZ3' ' HA ' ' A' ' 78' ' ' SER . 37.9 p90 -136.43 166.92 22.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -125.31 153.14 72.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 144.35 53.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 170.77 15.77 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.342 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.6 145.01 71.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -31.96 19.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.361 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.02 73.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.6 p -80.31 -45.97 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -39.1 143.97 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -116.75 -16.54 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -163.52 156.25 27.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -55.55 133.93 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.5 mt -78.01 122.38 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.0 p -92.39 -29.83 16.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -179.41 169.93 41.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.437 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.465 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 41.6 m-85 -116.26 144.61 44.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 110.913 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -107.38 99.55 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 79' ' ' GLN . 47.7 mt -93.9 116.7 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 69' ' ' GLU . 29.3 mtt-85 -120.47 146.48 46.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.522 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 1.8 p90 -147.37 157.14 43.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -142.49 178.98 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -99.61 131.63 45.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.53 -48.92 38.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.0 t -69.08 -39.38 79.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -125.68 84.3 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' SER . 1.8 mptp? -64.34 -46.86 81.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' LYS . 3.5 m -34.69 -52.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -67.48 107.29 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.1 t -128.05 142.48 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.413 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 54.2 m -112.12 124.7 52.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 57' ' ' ARG . 4.3 tm-20 -89.83 129.13 36.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.4 m -127.82 128.1 44.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.4 tp -107.81 141.5 39.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 54' ' ' TYR . 9.3 m -127.73 -178.38 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 m -84.08 158.55 21.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.06 -52.48 47.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.9 t -68.16 -5.89 20.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 111.165 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -87.12 119.42 27.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.3 mt -107.7 13.66 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.424 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 18.2 m -152.62 152.72 32.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 56' ' ' ILE . 16.6 tp60 -151.87 140.26 20.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 tp -100.66 125.53 47.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.448 ' CG1' HD13 ' A' ' 37' ' ' ILE . 12.9 mm -106.83 109.84 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -103.9 167.09 10.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.47 38.0 6.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.2 mt -114.72 167.93 10.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -105.51 159.78 15.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -80.53 165.85 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 39.28 51.62 2.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.1 m -147.81 121.57 9.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 111.141 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -68.45 140.38 55.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -135.91 147.95 48.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.9 134.53 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.522 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 91.1 m-85 -132.13 149.74 52.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.524 ' HD3' ' CZ2' ' A' ' 108' ' ' TRP . 34.0 ptt180 -154.12 132.2 11.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.6 t -106.73 148.24 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.93 143.21 30.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.37 141.56 28.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.2 mt -120.09 132.98 55.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.8 p -133.63 173.03 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 tp -53.47 -34.99 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -61.41 -23.02 65.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.15 -125.91 3.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.17 148.59 25.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.119 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -105.94 -173.05 23.56 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.491 ' CG ' ' C ' ' A' ' 20' ' ' ALA . 54.3 Cg_endo -69.68 163.24 38.94 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -112.55 166.88 10.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 107' ' ' ASP . 62.0 p -96.25 131.59 42.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -33.02 136.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.524 ' CZ2' ' HD3' ' A' ' 93' ' ' ARG . 59.1 m95 -55.61 104.7 0.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.0 tp -100.4 119.14 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 91.2 p -87.93 148.25 24.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.2 128.55 15.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.057 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -100.16 115.37 29.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.7 p -62.26 170.4 2.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -81.36 126.38 31.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -41.81 -35.16 0.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.0 t -150.28 176.31 11.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -67.07 85.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 20.4 tp -118.41 82.81 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.75 111.06 8.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -85.04 171.79 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.5 t -143.02 130.22 20.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -156.01 151.64 27.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.4 p -133.89 126.55 18.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 145.11 56.32 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -102.25 125.8 49.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.0 p -136.77 152.51 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 62.4 m -150.83 165.61 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -168.56 146.45 10.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 170.29 17.01 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 36.4 p -124.09 162.39 23.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.7 t -154.96 153.65 31.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.447 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 m -101.86 -54.32 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -119.92 174.78 6.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.6 171.33 43.98 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -166.66 123.59 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.869 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -169.44 171.88 7.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.72 102.5 2.73 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 9' ' ' VAL . 3.2 m-20 -117.21 42.54 2.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.809 0.337 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 8' ' ' ASP . 7.2 p 32.62 42.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.61 112.25 24.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 12' ' ' ARG . 7.4 p -142.4 140.36 28.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.461 ' N ' HG21 ' A' ' 11' ' ' VAL . 32.9 mtm180 -123.5 122.55 38.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.457 HG21 ' N ' ' A' ' 14' ' ' LEU . 85.3 m -95.16 141.6 28.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.457 ' N ' HG21 ' A' ' 13' ' ' THR . 20.7 mt -107.69 101.48 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.2 m -159.4 164.82 34.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -61.74 -66.81 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -44.38 154.16 0.42 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.579 0.704 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 143.09 49.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.8 t -124.04 43.27 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.407 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -148.66 114.03 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.19 162.85 42.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.623 0.725 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.445 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.8 Cg_endo -69.78 140.0 41.55 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.635 2.224 . . . . 0.0 112.407 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -104.26 -176.09 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 51.3 36.16 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.08 152.55 40.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.2 p -165.35 155.08 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.5 mt -126.99 99.31 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -82.69 88.17 6.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.9 90.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.3 mmm-85 -61.44 -54.57 41.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -132.82 -177.27 4.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 p -74.43 -27.99 60.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -106.76 -6.03 18.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.4 m -124.61 143.82 50.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.7 mt -143.41 117.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.4 tpp -82.69 136.75 34.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.0 mt -111.22 113.57 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -109.4 119.39 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.567 ' CH2' HD11 ' A' ' 56' ' ' ILE . 43.5 p90 -134.17 159.01 42.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 39' ' ' TRP . 1.4 mp0 -114.87 147.47 38.33 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 143.0 49.28 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 171.08 15.14 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.646 2.231 . . . . 0.0 112.391 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.93 154.01 10.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 111.062 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.33 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.15 -47.18 23.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.1 p -59.01 -46.76 87.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -59.73 99.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.4 -15.23 60.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -143.31 -150.94 5.38 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -110.48 145.36 37.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.1 mt -91.19 131.61 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 68.1 p -101.46 -47.02 4.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.96 169.61 32.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.439 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 29.9 m-85 -118.83 127.7 53.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.978 0.418 . . . . 0.0 110.923 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HE3' ' CD ' ' A' ' 69' ' ' GLU . 6.8 tttp -92.0 101.35 13.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.567 HD11 ' CH2' ' A' ' 39' ' ' TRP . 21.4 mt -99.81 115.23 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -115.0 144.09 44.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.567 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 49.2 p90 -140.06 154.76 47.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -147.16 179.49 7.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -90.65 148.77 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.56 -30.92 61.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.7 t -83.4 -55.81 4.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -68.49 -50.67 50.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.1 mttt 49.26 34.77 6.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.4 m -134.12 -36.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -90.39 111.03 22.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.0 t -118.39 138.95 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.436 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 25.4 m -108.4 139.91 42.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' CD ' ' HE3' ' A' ' 55' ' ' LYS . 30.0 tt0 -92.69 133.85 35.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.7 m -138.52 111.67 7.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.5 tp -98.63 146.23 26.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.439 ' CG2' ' HB2' ' A' ' 54' ' ' TYR . 29.8 m -135.7 178.95 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.8 t -79.68 154.59 28.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.65 -61.11 7.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.434 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 t -61.56 -18.77 60.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.725 0.297 . . . . 0.0 111.122 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -72.96 111.17 7.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.2 mt -104.7 27.01 8.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.7 p -150.63 157.14 42.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -158.79 135.78 9.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 tp -105.34 111.43 24.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.4 mm -95.35 94.09 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -92.76 159.96 15.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.57 45.12 3.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 mt -116.94 -175.46 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -109.97 165.35 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 87' ' ' GLY . 14.9 ptt180 -90.04 163.54 14.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 86' ' ' ARG . . . 34.87 48.38 0.72 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.466 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.467 HG21 ' CE2' ' A' ' 90' ' ' TYR . 62.4 m -139.58 126.56 20.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 111.107 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -71.8 141.19 49.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.467 ' CE2' HG21 ' A' ' 88' ' ' THR . 49.7 m-85 -138.39 146.23 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.454 ' HB3' ' CE3' ' A' ' 108' ' ' TRP . 1.8 m-80 -107.86 134.56 50.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 33.7 m-85 -128.4 162.92 26.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.558 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 11.3 ptm180 -157.04 124.32 5.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.9 t -102.97 134.71 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.86 146.03 50.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.18 136.68 36.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.9 mt -113.38 145.29 41.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 75.6 p -140.62 173.4 11.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.5 tp -51.3 -39.79 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -59.54 -24.55 63.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.96 -123.66 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.2 p -101.54 169.84 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 111.165 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.15 -170.48 12.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.407 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.3 Cg_endo -69.8 168.73 20.75 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.307 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -125.76 158.05 35.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 107' ' ' ASP . 80.9 p -83.23 128.83 34.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.4 OUTLIER -33.96 139.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.558 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 38.8 m95 -49.13 106.26 0.1 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.8 tp -102.13 116.84 33.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 53.7 p -84.06 144.5 29.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.71 128.95 17.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -104.43 118.76 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 p -68.26 172.35 5.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.496 ' CE2' ' HB2' ' A' ' 119' ' ' ASP . 35.1 m-85 -84.35 115.33 22.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -39.73 -34.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.9 m -136.63 163.08 31.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.803 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -45.76 -42.02 11.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.29 95.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.496 ' HB2' ' CE2' ' A' ' 114' ' ' PHE . 22.2 p-10 -101.95 168.77 9.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -97.82 145.62 26.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.0 t -118.49 137.62 53.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.162 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 51.9 ptt85 -158.46 175.67 13.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.62 128.24 24.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.648 0.737 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 168.57 21.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.629 2.22 . . . . 0.0 112.349 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -117.6 92.34 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 92.8 t -99.32 143.28 13.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 89.9 p -158.67 149.16 19.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 138.55 89.95 0.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.49 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 159.39 53.56 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 90.3 p -136.09 176.12 8.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 68.9 m -114.94 -60.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.491 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 1' ' ' GLY . 12.4 t 35.66 42.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.819 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -76.48 105.4 7.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.53 168.67 21.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 m -149.14 175.69 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -127.87 164.6 21.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.7 -151.12 10.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -162.67 127.41 3.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 p -115.22 150.96 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.33 142.18 31.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 p -124.42 157.34 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -143.99 144.66 31.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.7 p -106.23 173.05 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.46 123.82 49.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.6 t -158.13 169.04 25.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -41.77 -60.93 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.4 m -43.9 150.3 0.59 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.614 0.721 . . . . 0.0 111.161 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HA ' ' ND2' ' A' ' 48' ' ' ASN . 53.2 Cg_endo -69.8 161.83 44.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.3 t -128.62 16.38 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.444 ' C ' ' CG ' ' A' ' 104' ' ' PRO . . . -108.98 131.33 55.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.096 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.03 161.8 21.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.465 ' CB ' ' O ' ' A' ' 40' ' ' GLN . 54.0 Cg_endo -69.77 142.95 49.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.703 2.268 . . . . 0.0 112.38 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -108.36 177.77 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 62.57 29.3 16.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.0 tp -64.22 149.99 46.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -169.05 156.16 7.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.7 mt -125.51 95.89 4.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ARG . 12.4 tp10 -80.5 86.53 5.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.0 t -51.49 88.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' GLU . 31.3 mmt180 -59.19 -49.06 79.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -143.29 178.52 7.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.8 p -74.08 -6.57 48.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -127.24 -0.74 6.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.1 t -134.51 150.18 50.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.6 mt -146.27 115.82 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.1 tpp -82.88 128.87 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mt -103.02 118.1 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -110.75 116.76 31.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.454 ' CH2' HD11 ' A' ' 56' ' ' ILE . 43.8 p90 -129.97 179.64 5.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.465 ' O ' ' CB ' ' A' ' 22' ' ' PRO . 28.1 mt-30 -147.65 153.59 43.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 143.65 51.58 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.391 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 171.03 15.24 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.329 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.78 153.14 23.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -34.52 14.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.264 . . . . 0.0 112.321 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.36 -32.49 74.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.5 p -79.37 -29.25 42.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -57.5 145.99 31.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' A' ' 18' ' ' PRO . 40.1 m-20 -116.47 -18.97 10.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -151.77 -136.69 2.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.436 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -120.66 128.99 53.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.809 0.337 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.1 mt -76.82 121.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.3 p -101.08 -32.37 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.95 169.33 42.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -117.33 155.94 28.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.409 . . . . 0.0 110.93 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -119.64 105.61 11.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.454 HD11 ' CH2' ' A' ' 39' ' ' TRP . 12.8 mt -97.07 124.49 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -127.45 150.18 49.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.502 ' N ' ' CD1' ' A' ' 58' ' ' TYR . 0.8 OUTLIER -149.88 161.82 41.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -151.27 176.27 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 61' ' ' ALA . 73.1 mttt -98.45 126.61 44.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' LYS . . . -35.54 -53.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.6 m -71.73 -46.09 59.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -104.34 73.39 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -68.6 -42.75 77.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -42.96 -44.76 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.83 109.27 7.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.8 t -125.43 143.48 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.4 m -108.4 135.44 49.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -98.4 122.66 41.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.2 m -127.46 101.24 6.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.454 HD23 ' CD1' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -88.4 126.66 35.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.1 m -115.84 -176.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.7 t -86.9 162.71 17.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.92 -55.66 15.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.0 t -64.11 -11.84 33.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.721 0.296 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -82.84 115.32 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.1 mt -110.69 17.14 20.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.5 p -147.05 147.32 30.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -153.46 142.06 20.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.451 ' CD1' ' HG3' ' A' ' 30' ' ' ARG . 16.2 tp -107.07 125.02 50.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 30.4 mm -107.84 93.66 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.073 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -91.21 161.01 15.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.94 40.46 5.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.4 mt -106.49 -175.6 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.317 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -118.39 140.04 50.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -70.69 160.57 32.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.93 46.22 5.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 45.0 m -143.02 123.92 14.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.308 . . . . 0.0 111.182 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.77 132.71 49.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -128.1 143.18 51.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.469 ' O ' ' CB ' ' A' ' 58' ' ' TYR . 3.3 m120 -103.06 134.71 46.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -132.91 150.57 52.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.445 ' NH2' ' NE1' ' A' ' 108' ' ' TRP . 3.4 ptp180 -156.95 138.05 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 70.0 t -114.68 139.21 41.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.4 141.96 48.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.42 142.02 28.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.454 ' CD1' HD23 ' A' ' 71' ' ' LEU . 5.3 mt -119.22 138.23 53.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 74.2 p -130.91 -179.34 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.1 tp -58.63 -33.95 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -68.36 -20.32 64.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 140.08 -137.4 8.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.426 HG22 ' CD2' ' A' ' 97' ' ' LEU . 45.3 p -89.99 167.57 12.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.152 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -122.38 -169.71 13.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.444 ' CG ' ' C ' ' A' ' 20' ' ' ALA . 54.1 Cg_endo -69.75 163.13 39.4 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.37 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.43 141.68 47.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 68.3 p -70.58 138.19 50.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.59 138.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.445 ' NE1' ' NH2' ' A' ' 93' ' ' ARG . 54.3 m95 -54.0 106.11 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.3 tp -97.26 113.21 24.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 58.8 p -87.25 140.53 29.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -142.18 130.47 22.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -101.48 114.96 29.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.1 p -61.25 172.08 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.198 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 116' ' ' SER . 45.8 m-85 -85.0 123.98 31.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -38.62 -27.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 114' ' ' PHE . 8.1 t -163.34 -179.84 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.95 86.33 4.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -127.51 77.94 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -130.26 96.15 4.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -130.25 36.62 3.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.7 p -134.76 174.04 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -136.17 118.67 15.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.8 p -55.2 121.6 37.77 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.718 . . . . 0.0 111.148 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 172.59 12.43 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.314 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -105.22 166.91 10.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.9 t -107.93 -57.56 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 t -174.81 173.21 2.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -132.01 146.55 18.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.84 63.72 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.705 2.27 . . . . 0.0 112.294 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 25.1 p -106.83 173.45 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 84.9 p -124.13 172.89 8.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -45.81 142.62 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -91.85 174.21 7.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.73 -96.11 2.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m 51.82 42.62 30.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -67.57 142.58 56.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.72 170.83 37.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.436 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -156.89 121.06 4.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 p -171.71 139.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.77 134.32 31.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.42 89.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -130.45 45.68 2.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.2 m -93.74 140.02 30.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.3 mt -102.28 98.47 8.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.7 p -118.68 161.45 20.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' VAL . 2.5 m-20 -78.56 -43.43 26.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -37.05 151.92 0.12 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.658 0.742 . . . . 0.0 111.141 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.72 67.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.357 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -122.33 35.59 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.472 ' C ' ' CG ' ' A' ' 104' ' ' PRO . . . -124.32 128.27 48.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.9 155.26 43.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.076 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 136.07 32.11 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.698 2.266 . . . . 0.0 112.329 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -104.41 178.97 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 61.77 27.6 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.0 tp -58.23 153.71 14.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -173.36 161.83 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 mt -134.42 103.39 5.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.81 92.02 8.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.509 HG13 ' CE2' ' A' ' 114' ' ' PHE . 45.1 t -59.76 94.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -71.53 -46.8 58.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -138.66 -176.64 4.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.2 p -82.67 -18.78 39.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -114.6 2.84 14.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.6 p -142.72 144.9 32.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.1 mt -140.75 135.15 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.5 tpp -98.81 138.7 35.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.0 mt -111.23 133.88 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -125.9 115.74 20.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.5 p90 -134.04 168.28 19.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -127.91 152.4 77.22 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.578 0.704 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 143.21 49.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.732 2.288 . . . . 0.0 112.281 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 166.74 26.57 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.629 2.219 . . . . 0.0 112.353 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.45 153.31 20.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -29.54 23.79 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.8 -39.61 73.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 p -69.99 -40.07 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -51.39 151.52 2.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -125.46 31.15 5.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.0 -171.69 28.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.529 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -83.47 136.06 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.8 mt -80.35 140.89 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.9 p -109.24 -27.22 9.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.72 169.63 36.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -114.07 157.9 21.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.976 0.417 . . . . 0.0 110.916 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -116.96 97.98 6.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.5 mt -92.99 102.19 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.163 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -112.07 127.14 55.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.558 ' CE1' HG21 ' A' ' 81' ' ' ILE . 10.6 p90 -125.46 161.32 27.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.468 ' CZ ' HG23 ' A' ' 67' ' ' VAL . 18.7 ptp180 -164.05 150.79 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 90' ' ' TYR . 13.8 mtmt -75.38 144.91 42.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.7 79.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.0 m -74.51 -47.65 31.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -107.56 71.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -61.7 -50.89 70.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 t -40.7 -41.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -73.21 105.51 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.468 HG23 ' CZ ' ' A' ' 59' ' ' ARG . 2.1 t -128.53 149.48 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.519 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 21.8 m -120.63 133.31 55.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -93.2 130.68 38.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.1 m -132.93 103.11 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.73 135.26 33.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.83 -179.16 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.1 m -84.87 147.65 26.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.55 -40.27 69.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.9 t -86.48 15.36 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.308 . . . . 0.0 111.175 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -101.09 124.73 47.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.1 mt -112.87 8.67 18.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 75.9 p -139.1 161.68 36.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -167.68 133.38 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.5 tp -99.89 110.59 22.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.558 HG21 ' CE1' ' A' ' 58' ' ' TYR . 48.3 mm -91.57 100.05 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -94.01 166.72 12.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.47 51.63 3.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.442 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.3 mt -120.3 173.83 6.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.792 0.33 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -104.44 163.5 12.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 87' ' ' GLY . 16.5 ptt180 -89.27 162.16 16.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 86' ' ' ARG . . . 35.36 54.87 0.97 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.9 m -149.88 134.58 17.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.724 0.297 . . . . 0.0 111.104 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -70.28 141.97 52.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 60' ' ' LYS . 29.8 m-85 -135.05 137.54 43.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -97.22 136.19 38.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.444 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 98.9 m-85 -134.18 141.37 47.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.447 ' NE ' ' CZ2' ' A' ' 108' ' ' TRP . 23.5 ptt180 -149.16 137.82 21.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.9 t -114.71 143.78 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -143.44 147.21 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.22 142.49 27.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.1 mt -119.5 133.6 55.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 62.1 p -136.49 174.77 10.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 tt -59.23 -20.14 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -80.75 -9.29 59.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 127.2 -138.68 10.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.69 151.32 19.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 111.143 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -104.9 -169.93 24.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.472 ' CG ' ' C ' ' A' ' 20' ' ' ALA . 53.6 Cg_endo -69.7 157.86 59.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.96 138.03 51.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 107' ' ' ASP . 71.7 p -70.13 135.16 48.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.173 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.1 OUTLIER -33.97 141.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.447 ' CZ2' ' NE ' ' A' ' 93' ' ' ARG . 45.3 m95 -62.43 103.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.3 tp -94.45 116.71 29.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.4 m -88.74 143.99 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -140.97 132.42 26.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -99.01 113.47 25.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.44 166.14 4.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.147 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.509 ' CE2' HG13 ' A' ' 29' ' ' VAL . 45.3 m-85 -78.45 127.6 32.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -46.46 -21.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.0 t -160.04 160.64 33.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 118' ' ' LEU . 77.6 m-20 -51.92 -40.52 60.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 117' ' ' ASP . 17.4 mt -35.97 117.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -147.28 121.73 9.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -93.46 142.82 26.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 39.8 m -98.58 135.32 40.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -120.75 154.37 35.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 12.6 t -119.03 129.37 25.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 162.05 43.57 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.306 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -112.75 163.81 14.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 94.0 t -91.89 135.94 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 t -103.41 168.55 9.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -129.01 164.18 22.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 157.96 58.65 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.704 2.269 . . . . 0.0 112.382 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 27.8 t -96.25 -55.47 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 56.6 p -135.03 176.62 8.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -156.36 155.5 32.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.0 110.886 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -173.02 154.53 2.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.2 123.06 0.87 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 m -135.77 154.87 51.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.832 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 t -142.8 127.85 18.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.34 39.02 2.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -128.91 123.23 32.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.8 m -80.73 131.17 34.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.67 112.73 1.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.3 p -159.88 135.58 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -115.34 -59.34 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.7 m -114.52 144.93 42.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 1.9 pp -174.34 110.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.9 p -175.03 168.93 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -73.17 -50.0 25.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -38.48 155.11 0.13 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 146.12 59.15 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 t -123.82 39.13 4.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -124.08 110.41 14.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.85 158.47 35.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.3 Cg_endo -69.75 138.84 38.8 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -103.53 -176.29 3.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 47.9 41.44 14.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.9 tp -67.46 157.24 34.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -173.03 159.65 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' CD2' HG21 ' A' ' 37' ' ' ILE . 9.0 mt -128.54 104.98 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' ARG . 10.6 tp10 -85.67 81.79 8.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.6 t -52.91 88.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' GLU . 52.8 mmm-85 -57.59 -55.02 40.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -135.12 -177.62 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.6 p -75.03 -29.72 60.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -100.79 -15.3 17.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.8 p -120.99 139.67 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.8 mt -135.43 112.31 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.514 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 4.4 ttm -82.29 144.14 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.458 HG21 ' CD2' ' A' ' 27' ' ' LEU . 5.8 mt -116.49 133.1 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.514 ' CD2' ' HG2' ' A' ' 36' ' ' MET . 81.4 m-70 -125.54 121.47 33.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.809 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.555 ' CH2' HD11 ' A' ' 56' ' ' ILE . 39.2 p90 -138.65 156.11 47.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -112.21 148.45 39.12 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 144.48 54.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 168.98 20.05 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.11 150.67 19.72 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 0.0 111.055 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -39.74 6.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.53 -45.63 91.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.8 p -64.28 -34.08 77.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -58.26 117.53 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -79.35 -30.54 42.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.7 178.16 28.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -72.25 127.9 34.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.4 mt -71.22 149.63 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 39.5 p -117.82 -41.56 2.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.29 176.74 39.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.409 ' CD2' ' NE1' ' A' ' 39' ' ' TRP . 2.6 m-85 -124.57 140.33 53.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.977 0.418 . . . . 0.0 110.868 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -101.2 101.35 12.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.555 HD11 ' CH2' ' A' ' 39' ' ' TRP . 30.1 mt -98.1 108.36 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -109.78 136.79 48.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.433 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 51.1 p90 -137.46 138.51 39.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.517 ' NE ' ' CH2' ' A' ' 108' ' ' TRP . 11.3 ptp180 -126.95 -179.91 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -100.74 139.22 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.26 -50.79 71.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.9 t -47.84 -33.36 7.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -145.17 112.38 6.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.99 1.58 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -85.52 -41.08 15.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.9 98.95 2.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 68' ' ' THR . 1.9 p -129.05 134.73 63.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.419 ' N ' HG22 ' A' ' 67' ' ' VAL . 32.8 m -114.59 144.77 42.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.115 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -99.6 147.78 25.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.0 m -146.03 117.62 8.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.8 tp -94.5 153.8 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.6 m -147.66 175.24 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 t -80.19 154.71 27.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.63 -54.7 35.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 t -66.2 -12.11 54.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.701 0.286 . . . . 0.0 111.09 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -81.19 110.73 16.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.4 mt -105.68 25.64 10.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.8 p -153.3 148.8 27.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 80' ' ' LEU . 5.9 tp-100 -149.26 139.85 22.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.482 ' N ' ' OE1' ' A' ' 79' ' ' GLN . 28.4 tp -108.52 109.35 20.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.4 mm -97.28 107.28 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -103.52 165.86 10.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.92 42.28 5.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mt -116.52 169.8 9.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -101.98 149.25 24.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -76.08 162.99 27.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.4 51.56 7.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 34.1 m -147.15 130.58 16.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.757 0.313 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -74.11 131.17 41.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -125.65 148.6 48.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.48 139.72 44.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.433 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 95.1 m-85 -135.1 152.92 52.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -154.29 131.83 11.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 95' ' ' ALA . 71.4 t -111.5 140.6 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.456 ' N ' HG12 ' A' ' 94' ' ' VAL . . . -143.06 144.86 32.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -87.64 144.65 26.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.4 mt -122.91 134.63 54.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.3 p -133.44 173.21 11.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 16.9 tt -51.55 -37.08 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -57.42 -24.08 53.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.15 -101.81 0.28 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.446 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.2 p -120.87 176.97 5.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 111.139 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -134.83 -173.8 13.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.42 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.79 152.95 69.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.371 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.8 147.98 39.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 67.8 p -74.66 133.55 42.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.38 138.6 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.517 ' CH2' ' NE ' ' A' ' 59' ' ' ARG . 38.7 m95 -51.36 104.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.1 tp -98.74 112.63 24.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.3 m -81.67 147.65 29.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.428 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . . . -147.88 130.26 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.044 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -99.62 122.26 42.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.4 p -68.92 170.72 9.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -84.0 121.39 27.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -38.16 -37.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.9 m -149.61 174.62 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -66.59 -37.53 85.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.4 114.85 2.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -168.13 123.51 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -90.26 148.55 22.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.9 t -116.11 139.55 50.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.16 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -118.83 165.68 13.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 8.4 p -149.38 125.58 5.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.62 0.724 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -176.85 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.287 . . . . 0.0 112.33 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -130.41 176.2 8.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.457 HG22 ' N ' ' A' ' 127' ' ' SER . 7.2 p -173.8 142.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.457 ' N ' HG22 ' A' ' 126' ' ' VAL . 45.0 m -130.61 172.59 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 177.5 83.59 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -171.22 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.311 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.8 m 62.58 48.91 4.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.5 m -49.96 -56.78 9.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -166.99 147.75 5.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 0.0 110.875 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -162.86 176.42 10.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.45 112.42 0.66 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -169.22 126.75 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.871 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.3 t -173.7 170.32 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.94 119.31 3.31 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.469 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.75 111.83 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 110.845 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.0 t -144.51 137.57 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.097 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.54 137.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t -151.35 132.56 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -113.03 99.06 7.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 14' ' ' LEU . 62.4 m -83.44 141.75 31.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.163 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.436 ' N ' HG23 ' A' ' 13' ' ' THR . 83.1 mt -92.34 50.0 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.3 m -146.95 151.99 37.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.41 -55.5 10.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.2 m -61.28 153.04 70.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.721 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 141.77 46.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.4 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -116.03 58.8 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.463 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -148.47 124.16 10.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.69 158.0 33.81 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.582 0.706 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.449 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.6 Cg_endo -69.78 132.4 23.22 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.727 2.285 . . . . 0.0 112.301 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -100.92 -177.26 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 51.41 36.59 16.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.2 157.54 22.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 p -167.92 152.95 6.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.7 mt -125.0 95.69 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -81.35 91.46 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.35 89.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -61.33 -52.11 66.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -134.34 177.95 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 93.8 p -75.61 -20.01 58.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' LEU . 16.9 ptmt -109.8 -14.79 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 p -123.81 143.92 50.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.1 mt -135.23 117.47 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.533 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 5.0 ttm -84.28 135.06 34.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.439 ' CD1' HG22 ' A' ' 56' ' ' ILE . 10.4 mt -108.74 127.5 65.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.533 ' CD2' ' HG2' ' A' ' 36' ' ' MET . 86.8 m-70 -119.56 123.97 45.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.563 ' CH2' HD12 ' A' ' 56' ' ' ILE . 42.2 p90 -139.71 174.36 10.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -131.58 153.58 81.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.603 0.716 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.42 45.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.319 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 170.32 16.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.06 152.83 48.91 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.558 0.695 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -46.62 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.22 -50.47 20.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.043 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.0 p -64.14 -46.14 85.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -45.24 122.17 3.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -100.64 35.11 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 157.09 -138.05 5.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -124.24 138.91 54.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.759 0.314 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.7 mt -78.52 127.74 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.1 p -104.14 -38.6 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.96 170.63 40.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.47 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 92.9 m-85 -122.24 142.1 50.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.42 . . . . 0.0 110.929 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -105.82 100.98 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.563 HD12 ' CH2' ' A' ' 39' ' ' TRP . 65.3 mt -96.72 113.03 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -115.01 137.79 51.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.57 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 53.3 p90 -135.49 140.5 44.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.3 ptt85 -128.78 177.91 6.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -100.29 137.91 38.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.79 -45.94 64.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -86.18 -52.6 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -93.45 47.64 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -41.7 -40.87 2.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.5 t -46.71 -43.99 18.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -75.46 95.33 3.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.7 p -127.0 139.74 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.9 m -113.48 146.45 39.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -104.67 131.66 51.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.9 m -120.11 142.7 48.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.168 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.54 135.41 54.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 54' ' ' TYR . 34.7 m -128.06 178.84 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 m -80.88 167.38 19.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.6 -57.45 7.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.3 t -60.68 -24.76 65.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.705 0.288 . . . . 0.0 111.131 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.499 ' NE2' ' OE1' ' A' ' 79' ' ' GLN . 21.8 tt0 -70.48 114.24 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.7 mt -105.18 27.57 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.527 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 35.3 m -164.31 152.61 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.499 ' OE1' ' NE2' ' A' ' 76' ' ' GLN . 32.5 tp60 -143.83 160.82 40.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.9 tp -120.69 108.07 13.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.0 mm -95.55 99.96 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -97.94 165.17 12.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.38 49.39 3.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' LYS . 8.6 mt -120.3 -178.3 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.788 0.328 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -115.66 147.01 41.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -73.69 162.06 29.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 42.96 49.41 6.25 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.6 m -146.38 126.54 13.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 111.166 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -69.9 142.98 52.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -143.06 137.82 29.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.51 153.07 18.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 68.1 m-85 -148.68 151.22 34.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 108' ' ' TRP . 14.5 ptm180 -151.74 126.57 9.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.5 t -102.91 130.17 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.71 148.18 51.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.054 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.427 ' HA ' ' CD1' ' A' ' 54' ' ' TYR . . . -90.5 151.53 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.4 mt -128.76 140.29 51.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 72.8 p -141.82 179.53 6.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.4 tt -60.29 -31.37 48.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -67.23 -18.97 65.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.33 -122.23 2.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.9 p -107.41 165.53 11.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 111.175 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -124.69 -173.9 13.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.463 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.7 Cg_endo -69.76 160.55 49.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.27 -179.54 3.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 107' ' ' ASP . 69.5 p -104.79 132.97 50.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.477 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.3 OUTLIER -32.0 130.63 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 93' ' ' ARG . 31.1 m95 -47.33 98.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.2 tp -96.23 116.14 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 81.5 p -88.11 151.74 22.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -148.34 130.37 15.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -98.25 119.56 37.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.1 p -65.07 168.07 7.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -74.16 112.19 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -45.46 -24.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 118' ' ' LEU . 1.3 t -153.08 132.36 12.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.12 88.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 116' ' ' SER . 41.7 mt -122.22 117.27 25.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -72.38 111.05 7.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -111.46 142.89 43.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 87.3 m -107.43 114.29 28.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -169.84 137.41 1.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 66.7 t -146.93 135.84 11.27 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.685 0.755 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -174.0 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -167.14 115.34 0.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 89.5 t -127.5 134.08 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.4 p -160.08 130.65 5.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 140.73 75.46 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -178.88 2.56 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.32 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 72.2 p -171.98 128.83 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.0 t -97.67 -49.81 4.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.43 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.3 p -111.06 139.05 46.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.3 p -134.85 161.7 34.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.86 87.12 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -114.91 -61.9 1.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.37 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -174.93 172.84 2.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.26 40.33 2.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 41.2 42.68 1.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.353 . . . . 0.0 110.821 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.3 m -87.39 41.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.44 171.13 9.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.39 99.4 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 13' ' ' THR . 49.3 mtt180 -45.65 -51.05 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' ARG . 28.4 m -37.6 143.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.64 94.48 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 m -120.12 143.79 47.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -46.87 -51.67 16.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.6 m -42.75 153.49 0.32 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 0.0 111.089 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 149.09 66.51 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.647 2.232 . . . . 0.0 112.353 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 t -124.26 41.8 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -131.73 124.68 30.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.95 157.74 35.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.545 0.688 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.453 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 54.0 Cg_endo -69.73 140.81 43.72 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.373 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -108.23 -175.78 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 49.85 40.33 20.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -66.25 148.81 51.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -162.26 156.29 21.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 mt -128.88 102.06 6.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -88.01 79.19 8.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.9 102.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -70.02 -51.13 34.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -135.46 -175.09 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.8 p -79.18 -27.81 42.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -0.49 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.0 m -135.5 154.0 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -146.63 126.25 5.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.425 ' HE2' ' C ' ' A' ' 79' ' ' GLN . 5.7 tpt -89.79 138.75 31.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.449 ' CD1' HG23 ' A' ' 56' ' ' ILE . 9.7 mt -115.83 117.82 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.404 ' NE2' ' HG2' ' A' ' 36' ' ' MET . 91.3 m-70 -114.17 121.98 45.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.53 ' CH2' HD13 ' A' ' 56' ' ' ILE . 38.7 p90 -140.11 167.29 22.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -125.95 154.74 73.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.635 0.731 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 144.5 54.18 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 169.77 18.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.62 149.29 31.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 111.124 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -46.84 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.648 2.232 . . . . 0.0 112.295 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.25 -32.89 17.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' GLN . 36.1 p -81.15 -45.84 15.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' THR . 53.2 mt-30 -34.38 133.36 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -112.44 36.7 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.37 -163.84 26.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -92.75 130.12 38.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.744 0.306 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.8 mt -77.18 128.16 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.077 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.6 p -93.98 -42.69 8.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -167.26 175.64 42.33 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -116.59 138.54 51.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.943 0.401 . . . . 0.0 110.927 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -103.24 92.45 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.53 HD13 ' CH2' ' A' ' 39' ' ' TRP . 53.8 mt -89.72 124.56 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -125.96 143.68 50.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.56 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 13.4 p90 -140.67 156.58 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -148.72 175.16 11.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -96.84 133.61 41.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.36 -47.65 9.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 t -71.71 -55.93 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -101.73 83.41 2.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -76.09 -43.5 43.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.9 t -39.0 -42.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -82.85 110.85 18.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -124.94 147.97 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.071 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.496 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 25.7 m -109.52 138.75 45.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -97.0 139.87 32.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.2 m -137.25 118.22 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.171 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -107.17 127.8 53.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.418 ' N ' HD13 ' A' ' 71' ' ' LEU . 21.0 m -124.19 178.51 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -74.61 156.64 36.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.13 -56.25 21.57 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.8 t -65.06 -16.5 63.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 111.154 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -73.8 111.89 9.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.8 mt -104.04 28.91 6.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.0 p -150.27 152.18 34.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.551 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -152.84 131.73 12.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.898 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.551 ' N ' ' CD ' ' A' ' 79' ' ' GLN . 41.1 tp -109.52 109.9 20.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.436 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 47.3 mm -92.02 104.05 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -96.94 161.17 13.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.64 41.33 4.18 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mt -113.82 174.98 5.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.799 0.333 . . . . 0.0 110.933 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -113.97 160.27 19.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -84.21 160.41 20.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 47.47 51.35 16.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.518 HG23 ' CZ ' ' A' ' 90' ' ' TYR . 31.7 m -149.98 139.14 21.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 111.161 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -85.61 142.4 29.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.518 ' CZ ' HG23 ' A' ' 88' ' ' THR . 95.9 m-85 -142.96 137.34 29.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.415 ' CB ' ' CE3' ' A' ' 108' ' ' TRP . 0.6 OUTLIER -96.07 148.73 22.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.56 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 50.9 m-85 -142.16 154.75 45.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -152.74 137.51 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.1 t -111.28 136.7 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.81 150.23 49.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.15 149.0 22.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.468 ' CD1' HD21 ' A' ' 71' ' ' LEU . 12.6 mt -124.19 137.04 54.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 74.5 p -136.64 170.07 16.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.0 tt -53.47 -33.32 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -65.71 -20.35 66.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 128.81 -167.36 20.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 17.2 p -50.56 159.4 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.824 0.345 . . . . 0.0 111.142 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -126.87 -174.41 13.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.43 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.6 Cg_endo -69.72 155.87 64.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.85 154.07 37.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.453 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 74.6 p -76.43 168.7 19.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -62.1 170.95 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.415 ' CE3' ' CB ' ' A' ' 91' ' ' ASN . 22.5 m95 -87.44 93.54 9.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.0 tp -86.12 116.78 24.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 62.8 p -85.68 131.74 34.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -132.55 128.95 38.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -102.0 117.04 33.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.7 p -59.31 169.96 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' GLU . 63.5 m-85 -77.93 115.94 18.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' PHE . 1.6 tt0 -34.17 -38.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 114' ' ' PHE . 3.0 t -134.73 159.95 39.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.31 97.89 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.65 111.75 6.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -75.86 99.96 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -65.34 143.98 57.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 64.9 p -98.1 150.5 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -137.25 176.26 8.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.7 p -158.27 126.52 2.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 111.155 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 173.6 10.76 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.671 2.247 . . . . 0.0 112.341 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 126' ' ' VAL . 12.0 mt-10 -125.14 44.97 2.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 125' ' ' GLU . 14.3 p 32.03 45.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.0 m -42.21 -43.6 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.74 171.54 10.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 178.69 4.3 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 38.5 p -122.37 -55.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.8 m -169.04 147.79 3.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 t -140.29 142.71 35.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 110.814 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -171.59 156.51 4.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.21 151.1 6.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -166.36 131.11 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 110.816 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 t -167.78 133.12 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.58 -164.83 36.5 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 9' ' ' VAL . 30.4 p-10 -149.43 176.67 10.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' ASP . 13.9 p -36.78 126.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.06 168.14 26.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.9 t -92.4 133.53 33.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -120.74 106.51 11.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.4 p -142.85 131.94 23.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.2 mt -127.58 141.33 51.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.09 160.97 35.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.449 ' N ' ' OD1' ' A' ' 16' ' ' ASP . 0.4 OUTLIER -41.83 -39.85 1.9 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m -65.54 152.53 92.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 111.097 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 130.18 18.94 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.393 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.7 p -107.98 51.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.417 ' C ' ' HG3' ' A' ' 104' ' ' PRO . . . -164.05 131.5 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' CB ' ' HD2' ' A' ' 22' ' ' PRO . . . -104.97 166.52 11.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.573 0.701 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.77 133.44 25.56 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -101.19 179.6 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 58.45 36.57 25.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.2 tp -66.46 150.61 48.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.0 m -168.07 168.89 11.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.4 mt -138.87 108.69 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.7 tp10 -91.74 83.91 5.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.4 t -52.28 88.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.102 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' GLU . 23.2 mmm180 -58.39 -54.36 47.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -136.89 -176.04 4.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.9 p -74.73 -21.93 59.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -114.42 -6.59 12.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 p -125.35 133.46 52.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.2 mt -133.66 115.6 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.415 ' HG2' ' NE2' ' A' ' 38' ' ' HIS . 1.7 ttm -86.71 147.1 26.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.472 ' CD1' HG23 ' A' ' 56' ' ' ILE . 12.5 mt -114.46 144.47 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.415 ' NE2' ' HG2' ' A' ' 36' ' ' MET . 90.4 m-70 -135.05 114.92 12.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.538 ' CH2' HD12 ' A' ' 56' ' ' ILE . 38.8 p90 -133.57 171.56 13.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -129.39 154.49 80.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.536 0.684 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.31 50.55 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.377 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.97 17.67 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.372 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.16 149.57 24.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.54 0.686 . . . . 0.0 111.058 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -38.28 7.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.636 2.224 . . . . 0.0 112.39 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.75 -25.9 67.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.9 p -95.97 21.34 8.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -112.84 74.8 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.11 -17.92 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.51 177.1 28.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -81.64 154.04 26.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.7 mt -93.53 139.35 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 76.0 p -109.5 -33.67 6.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.86 166.25 36.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.461 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 98.6 m-85 -111.89 142.38 44.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.958 0.409 . . . . 0.0 110.926 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -101.51 95.59 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.538 HD12 ' CH2' ' A' ' 39' ' ' TRP . 36.0 mt -88.57 113.89 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -120.95 134.45 55.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.569 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 18.3 p90 -136.65 147.27 46.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -136.25 178.58 6.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 61' ' ' ALA . 32.4 mtpt -96.67 125.99 41.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 60' ' ' LYS . . . -34.68 -47.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -80.81 -48.92 11.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -98.08 88.12 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -76.25 -48.61 19.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 m -41.72 -47.79 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -70.95 103.36 2.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.2 t -124.25 148.07 28.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 95.1 m -114.65 133.53 55.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.52 132.72 40.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.9 m -143.0 106.7 4.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.174 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -86.94 156.74 19.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 54' ' ' TYR . 31.6 m -138.46 171.92 14.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 p -68.38 151.24 47.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.52 -34.04 54.77 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -93.49 1.0 56.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.71 0.29 . . . . 0.0 111.083 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.418 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 5.0 tt0 -72.25 119.49 16.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.7 mt -108.93 9.5 26.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -161.96 154.3 19.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 80' ' ' LEU . 19.9 tp60 -145.81 149.04 33.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 79' ' ' GLN . 18.7 tp -106.19 114.1 28.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.504 HG23 ' CZ ' ' A' ' 58' ' ' TYR . 49.9 mm -100.87 106.63 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -104.97 160.43 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.59 48.67 2.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 mt -126.31 164.21 21.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.82 153.76 18.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.407 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 13.6 ptt180 -75.06 161.41 29.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 43.51 58.76 3.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.51 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 31.2 m -152.12 119.38 5.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.763 0.316 . . . . 0.0 111.168 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.41 139.59 58.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 88' ' ' THR . 91.6 m-85 -138.8 147.07 42.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -105.03 145.75 30.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 79.6 m-85 -142.3 138.41 31.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 108' ' ' TRP . 28.5 ptt180 -143.69 130.18 20.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.4 t -103.52 139.77 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.34 144.76 44.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.44 145.75 24.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.8 mt -125.44 140.31 52.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.9 p -139.51 172.08 13.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.1 tp -54.27 -35.61 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -63.57 -21.67 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 140.9 -139.36 9.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.426 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.8 p -89.65 169.95 10.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 111.139 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -127.62 -170.56 12.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.417 ' HG3' ' C ' ' A' ' 20' ' ' ALA . 53.6 Cg_endo -69.72 158.54 56.67 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.321 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.8 134.16 55.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.054 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 70.3 p -61.59 155.85 21.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -50.42 170.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.559 ' CZ2' ' HD3' ' A' ' 93' ' ' ARG . 23.1 m95 -87.37 93.86 9.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.0 tp -89.63 119.42 30.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.8 m -92.01 144.4 25.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.65 131.76 20.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -105.3 118.08 35.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.76 172.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 116' ' ' SER . 48.0 m-85 -84.95 116.65 23.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 114' ' ' PHE . 31.0 mt-10 -36.5 -33.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' PHE . 16.0 m -142.74 139.35 31.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -91.19 99.44 12.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.495 ' O ' ' C ' ' A' ' 119' ' ' ASP . 12.1 mt -120.06 37.58 4.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' A' ' 118' ' ' LEU . 4.9 m-20 30.79 51.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -51.73 105.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.458 HG21 ' N ' ' A' ' 122' ' ' ARG . 28.3 m -110.42 147.0 34.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.458 ' N ' HG21 ' A' ' 121' ' ' THR . 0.0 OUTLIER -112.29 -174.99 2.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 5.3 p -134.13 124.41 17.4 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.68 0.752 . . . . 0.0 111.054 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -179.85 3.2 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -126.8 133.22 50.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.9 p -125.12 145.1 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 37.3 t -163.87 159.13 20.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 171.62 164.1 26.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -171.81 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.653 2.235 . . . . 0.0 112.323 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 58.8 m -118.15 -64.15 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 t -132.76 170.32 15.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -171.41 174.66 4.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 p -168.02 147.35 4.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.91 175.46 14.69 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -166.58 165.17 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -154.62 171.04 20.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.07 178.51 16.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.454 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -147.53 156.59 42.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.828 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 10' ' ' ALA . 75.1 t -134.13 140.02 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.412 ' N ' HG13 ' A' ' 9' ' ' VAL . . . -144.6 133.26 22.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 12' ' ' ARG . 86.4 t -64.97 149.59 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' N ' HG13 ' A' ' 11' ' ' VAL . 4.5 ptp180 -117.33 -36.05 3.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.4 m -57.76 138.44 55.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mp -52.69 -51.34 60.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ASP . 16.5 m 40.22 46.04 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' SER . 9.3 p-10 -34.39 -43.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -58.56 153.87 37.68 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.67 0.747 . . . . 0.0 111.097 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 151.24 69.54 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.383 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 p -126.12 42.16 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -135.58 133.28 38.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.68 162.81 23.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.703 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 134.38 27.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.64 2.227 . . . . 0.0 112.343 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -97.67 -174.92 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 43.28 49.33 5.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.405 ' CD1' HG22 ' A' ' 94' ' ' VAL . 48.7 tp -70.78 152.08 44.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -163.23 161.28 24.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.455 ' CD2' HG23 ' A' ' 37' ' ' ILE . 19.8 mt -133.2 101.88 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -82.6 91.45 6.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.87 90.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.441 ' HG3' ' CD1' ' A' ' 80' ' ' LEU . 14.3 mmm180 -60.47 -54.26 47.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -136.04 -175.61 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.3 p -74.73 -29.36 61.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -103.28 -16.54 15.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 p -115.84 139.87 49.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.401 HD13 ' CD1' ' A' ' 84' ' ' LEU . 91.6 mt -136.75 107.49 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.5 ttm -79.12 139.93 37.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.465 ' CD1' ' CG2' ' A' ' 56' ' ' ILE . 15.2 mt -107.89 142.54 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -133.83 115.97 15.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.47 ' CG ' HG13 ' A' ' 94' ' ' VAL . 42.9 p90 -132.33 164.54 26.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -118.31 152.82 51.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.69 48.59 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.722 2.281 . . . . 0.0 112.319 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 171.06 15.1 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.384 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.83 147.91 29.84 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.556 0.693 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -30.11 22.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.19 -52.76 24.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.155 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.3 p -56.79 -37.99 71.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -39.06 142.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -125.71 35.65 4.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 137.1 176.19 14.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -70.46 135.69 48.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 0.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.2 mt -80.91 121.33 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.8 p -85.08 -44.73 12.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.414 ' C ' HD12 ' A' ' 97' ' ' LEU . . . -164.95 167.36 38.62 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.402 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 39.0 m-85 -112.06 129.19 56.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.94 0.4 . . . . 0.0 110.908 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 95' ' ' ALA . 2.6 tptp -92.42 126.2 37.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.465 ' CG2' ' CD1' ' A' ' 37' ' ' ILE . 19.0 mt -123.36 121.31 62.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -119.23 152.56 36.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.5 ' CZ ' ' HB ' ' A' ' 68' ' ' THR . 49.5 p90 -156.96 140.56 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -136.26 174.43 10.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -87.96 140.91 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.48 99.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.8 t -74.1 -59.58 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -58.55 -46.77 86.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm 43.99 25.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -132.83 -33.09 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -93.46 110.78 22.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.7 t -120.89 153.41 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.5 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 30.1 m -123.44 136.82 54.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.27 144.62 25.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.2 m -138.47 132.05 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.428 ' CD1' ' C ' ' A' ' 71' ' ' LEU . 0.7 OUTLIER -116.55 130.19 56.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.409 ' N ' HD11 ' A' ' 71' ' ' LEU . 33.3 m -123.93 169.18 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.5 m -69.29 154.55 41.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.76 -50.4 63.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -83.52 33.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.728 0.299 . . . . 0.0 111.119 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -117.82 108.41 15.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.4 mt -102.08 31.34 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.6 p -159.63 160.58 34.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -162.54 153.59 17.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.441 ' CD1' ' HG3' ' A' ' 30' ' ' ARG . 22.2 tp -120.84 110.79 16.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.452 HG23 ' CZ ' ' A' ' 58' ' ' TYR . 39.7 mm -98.18 105.09 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -102.26 163.3 12.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.25 43.09 4.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.444 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.401 ' CD1' HD13 ' A' ' 35' ' ' ILE . 6.8 mt -120.29 166.09 13.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -94.33 148.23 22.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -74.31 163.22 28.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 39.48 55.48 2.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 89' ' ' GLU . 61.6 m -144.87 140.79 28.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.306 . . . . 0.0 111.129 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.454 ' N ' HG23 ' A' ' 88' ' ' THR . 29.0 tt0 -81.68 128.94 34.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -131.17 146.45 52.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -104.83 145.01 30.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -139.66 153.57 47.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -156.02 133.19 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.47 HG13 ' CG ' ' A' ' 39' ' ' TRP . 64.9 t -103.2 145.54 12.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . -140.92 152.7 45.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.7 151.36 22.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.414 HD12 ' C ' ' A' ' 53' ' ' GLY . 6.8 mt -129.95 138.99 51.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -137.4 170.68 15.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.0 tt -50.24 -40.1 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -56.18 -25.43 46.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.26 -130.03 4.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 m -94.91 151.86 18.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.822 0.344 . . . . 0.0 111.144 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -109.67 -176.54 21.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.501 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.454 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.3 Cg_endo -69.81 161.28 46.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.692 2.262 . . . . 0.0 112.337 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.77 141.34 51.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.3 p -66.04 167.09 10.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.24 177.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -87.5 96.81 10.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.1 tp -92.9 114.8 27.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.6 t -85.65 157.62 20.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.93 128.69 10.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -97.99 117.08 31.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.9 p -66.76 167.84 10.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 115' ' ' GLU . 50.5 m-85 -82.52 113.67 20.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 114' ' ' PHE . 22.5 mt-10 -34.56 -38.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 t -144.65 178.31 8.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -77.52 83.22 3.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.0 tp -115.4 94.67 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -74.01 99.91 3.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.827 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -99.88 167.88 10.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.6 t -161.98 141.02 9.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.108 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 11.4 ptp85 -138.54 170.08 16.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 16.2 m -111.41 133.31 21.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 111.106 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -173.95 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -122.77 162.43 22.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 90.0 t -130.23 146.47 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.18 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.1 m -129.12 177.73 6.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -123.85 169.36 15.98 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.426 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 173.71 10.59 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 131' ' ' SER . 47.3 m -115.9 -57.74 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.863 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 130' ' ' SER . 3.0 t -36.31 145.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -110.07 173.99 6.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.873 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -138.86 111.26 7.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.14 -179.84 16.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 6' ' ' SER . 37.0 p -89.18 -55.61 3.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 110.838 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 5' ' ' SER . 2.8 t 37.73 42.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.67 -167.67 13.68 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -110.75 41.86 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 10' ' ' ALA . 87.9 t -72.19 99.58 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 9' ' ' VAL . . . -35.19 122.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.0 p -138.5 161.65 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -103.99 -65.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.2 p -100.48 163.64 12.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.3 mt -98.59 90.12 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.1 p -162.03 177.65 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.16 65.33 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.23 161.47 29.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 137.26 34.92 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 t -117.5 35.97 4.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.425 ' C ' ' CG ' ' A' ' 104' ' ' PRO . . . -131.65 135.74 47.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.87 162.78 31.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.712 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.413 ' HG3' ' CG1' ' A' ' 94' ' ' VAL . 53.7 Cg_endo -69.72 130.07 18.74 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.746 2.297 . . . . 0.0 112.309 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -99.11 -175.18 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 53.93 41.83 31.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.3 141.45 58.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 m -155.65 156.97 35.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.9 mt -131.98 102.01 5.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -89.98 76.65 7.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.9 t -48.62 99.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 14.1 mmm180 -68.06 -49.4 61.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.45 ' OD1' ' C ' ' A' ' 30' ' ' ARG . 4.3 m-20 -134.21 -175.44 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 86.3 p -78.67 -23.27 45.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -106.79 -19.58 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 p -115.59 148.05 40.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.5 mt -139.32 126.09 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.454 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 5.6 tpt -90.57 136.32 33.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 56' ' ' ILE . 6.4 mt -112.0 128.6 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -124.61 119.13 28.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.444 ' CH2' HD11 ' A' ' 56' ' ' ILE . 36.1 p90 -137.85 166.38 24.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -119.86 150.2 50.19 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.579 0.704 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 144.94 55.33 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 171.42 14.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.41 149.42 20.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.565 0.697 . . . . 0.0 111.14 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -23.86 30.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.71 -36.08 29.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 47' ' ' GLN . 49.1 p -81.49 -35.61 30.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 46' ' ' THR . 19.9 mt-30 -28.98 -42.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 46' ' ' THR . 25.3 t-20 63.78 35.59 11.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 129.16 -179.64 16.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -83.72 139.33 32.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.514 HG23 ' CE1' ' A' ' 54' ' ' TYR . 46.2 mt -87.13 142.83 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.6 p -110.16 -41.98 4.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.406 ' C ' HD12 ' A' ' 97' ' ' LEU . . . -165.01 168.29 39.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.501 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.514 ' CE1' HG23 ' A' ' 51' ' ' ILE . 2.2 m-85 -118.52 137.27 53.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.93 0.395 . . . . 0.0 110.939 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -99.73 94.21 6.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.46 HG23 ' CD1' ' A' ' 37' ' ' ILE . 59.9 mt -87.44 120.45 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -118.59 148.78 42.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.564 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 33.0 p90 -150.5 148.63 28.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -141.24 -179.8 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -94.97 142.5 27.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.64 -12.01 60.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.05 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.2 t -97.53 -45.89 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -85.78 -44.77 12.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? 49.03 32.83 4.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 m -133.41 -34.15 1.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -91.38 111.87 23.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.0 t -120.73 145.7 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.506 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 35.3 m -119.79 136.12 54.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -91.11 141.26 29.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.6 m -134.97 114.85 12.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -101.44 129.43 47.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.453 ' N ' HD12 ' A' ' 71' ' ' LEU . 26.9 m -121.45 -177.9 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m -82.36 148.01 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.94 -42.04 78.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.4 t -88.81 29.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.32 . . . . 0.0 111.129 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -117.65 112.42 20.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.8 mt -103.5 31.34 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 99.5 p -156.77 150.6 24.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.418 ' C ' ' HE3' ' A' ' 36' ' ' MET . 37.7 tp60 -152.51 136.1 16.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.4 tp -111.62 111.05 21.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.0 mm -95.18 119.29 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -110.41 160.95 16.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.57 48.77 2.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 mt -123.44 165.94 16.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -103.81 155.34 18.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.8 ptt85 -79.66 159.52 26.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.53 53.59 20.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.409 HG23 ' CZ ' ' A' ' 90' ' ' TYR . 60.0 m -153.35 129.36 10.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.733 0.301 . . . . 0.0 111.145 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -73.34 142.83 47.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.409 ' CZ ' HG23 ' A' ' 88' ' ' THR . 89.3 m-85 -142.45 136.43 29.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.42 146.63 25.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 52.8 m-85 -140.75 148.94 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -143.92 141.46 30.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.413 ' CG1' ' HG3' ' A' ' 22' ' ' PRO . 90.6 t -115.03 127.48 72.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.79 149.8 46.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.7 150.23 22.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.456 ' CD2' HG21 ' A' ' 102' ' ' THR . 6.3 mt -130.11 137.21 50.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.1 p -136.6 171.6 14.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.7 tt -49.19 -41.61 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -58.89 -25.66 63.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.8 -145.66 17.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.456 HG21 ' CD2' ' A' ' 97' ' ' LEU . 15.2 p -78.59 160.22 27.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 0.0 111.153 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -125.18 -166.92 12.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.425 ' CG ' ' C ' ' A' ' 20' ' ' ALA . 54.0 Cg_endo -69.7 162.29 42.61 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.379 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -129.5 133.2 47.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 65.6 p -57.06 165.78 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -62.61 172.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -86.64 96.16 10.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 tp -87.92 113.75 23.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 72.9 m -80.35 145.21 32.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.13 129.98 20.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -104.5 116.75 32.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.6 p -62.91 171.11 2.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -87.84 121.9 30.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -40.08 -35.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.36 -179.38 4.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.39 47.12 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.439 ' CD2' ' HB3' ' A' ' 120' ' ' GLU . 2.4 tt -82.1 90.71 6.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -71.64 86.12 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.439 ' HB3' ' CD2' ' A' ' 118' ' ' LEU . 22.8 tt0 -173.54 123.79 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.9 t -133.72 38.07 3.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 44.1 ptt85 38.44 47.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 95.6 t -41.34 136.14 1.81 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 177.04 5.98 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -142.14 105.25 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 97.8 t -138.13 148.14 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.6 t -163.82 131.5 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.84 64.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 87.54 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.718 2.279 . . . . 0.0 112.349 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.2 t -52.92 -53.16 53.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.2 m -48.04 150.2 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.542 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.436 -0.265 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -169.82 145.07 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -170.99 172.13 5.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.05 170.86 26.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -166.76 155.07 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.952 0.406 . . . . 0.0 110.844 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -141.0 161.45 37.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.63 150.83 8.22 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -174.3 158.01 2.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.9 t -135.34 132.0 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.44 78.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.2 t -131.5 100.03 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 13' ' ' THR . 33.8 ptt180 -125.48 -40.8 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 12' ' ' ARG . 20.4 m -35.79 137.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -161.95 151.88 16.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -173.54 161.4 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -53.03 -52.16 59.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -55.61 154.07 13.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 111.137 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.11 56.26 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -123.08 41.34 3.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.19 129.57 21.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.29 157.46 34.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.702 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.471 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.9 Cg_endo -69.84 133.32 25.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.64 2.227 . . . . 0.0 112.36 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -102.06 -177.2 3.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 54.34 42.74 31.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 26' ' ' SER . 38.5 tp -72.14 158.42 35.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.406 ' N ' ' HG ' ' A' ' 25' ' ' LEU . 3.6 m -173.73 156.66 2.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.5 mt -130.16 96.35 4.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.6 93.33 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.01 93.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.479 ' HA ' ' CZ ' ' A' ' 30' ' ' ARG . 1.8 mmp_? -67.18 -46.71 73.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -139.73 -177.45 4.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.1 p -75.59 -27.52 58.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -112.37 18.39 18.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 p -148.32 139.18 23.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -142.26 116.41 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.8 tpp -87.29 131.81 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.4 mt -102.61 132.1 49.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -124.69 115.43 20.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.453 ' CZ3' HD12 ' A' ' 56' ' ' ILE . 42.6 p90 -130.17 164.55 24.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -124.66 154.16 70.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.6 0.714 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 144.45 53.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.643 2.229 . . . . 0.0 112.317 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HG2' ' NE2' ' A' ' 47' ' ' GLN . 53.5 Cg_endo -69.81 169.36 19.16 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.84 152.97 45.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -43.46 2.61 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.299 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.51 -53.05 33.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 p -63.13 -52.1 63.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.42 ' NE2' ' HG2' ' A' ' 42' ' ' PRO . 53.7 mt-30 -50.77 116.97 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.89 51.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.5 -168.68 41.2 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -110.06 132.04 54.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.65 139.37 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.4 p -118.94 -33.45 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -169.65 175.84 43.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 96' ' ' ALA . 62.2 m-85 -128.28 140.8 51.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.899 0.38 . . . . 0.0 110.974 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.465 ' HD2' ' CD2' ' A' ' 97' ' ' LEU . 18.0 mttp -103.63 116.12 31.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.453 HD12 ' CZ3' ' A' ' 39' ' ' TRP . 30.8 mt -109.44 99.15 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 10.0 mtm105 -100.99 140.1 35.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.421 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 32.2 p90 -142.05 166.32 25.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -150.57 178.66 8.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -101.47 121.81 42.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.63 -39.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.3 m -62.4 -57.87 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 8.5 ptm180 -118.11 98.56 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -69.13 -4.12 16.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -77.29 -36.22 54.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -80.51 102.22 9.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.0 146.48 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 69' ' ' GLU . 27.3 m -124.61 146.19 49.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' N ' HG23 ' A' ' 68' ' ' THR . 34.6 tt0 -102.55 146.81 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 93.5 m -140.07 111.71 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.05 133.79 39.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.79 178.02 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.5 m -81.81 149.62 28.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.65 -36.45 59.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.7 t -94.67 23.48 5.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.752 0.31 . . . . 0.0 111.143 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -111.8 108.9 18.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.6 mt -104.04 31.04 4.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.4 p -159.42 151.48 20.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -159.03 135.41 9.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.2 tp -102.83 118.96 37.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.6 mm -104.21 98.35 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -96.38 166.9 11.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.47 37.92 7.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mt -109.07 176.14 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 0.0 110.92 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -104.75 154.54 19.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 87' ' ' GLY . 11.4 ptt180 -81.93 168.02 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' ARG . . . 35.41 52.17 1.0 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.1 m -148.54 135.68 20.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 0.0 111.147 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.39 143.6 40.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.508 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . 44.0 m-85 -135.81 138.79 42.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.497 ' HB3' ' CE3' ' A' ' 108' ' ' TRP . 1.3 m-80 -103.41 132.12 49.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 90' ' ' TYR . 69.7 m-85 -132.57 152.83 51.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.554 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 14.0 ptm180 -154.93 128.01 8.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 49.0 t -102.93 139.15 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.08 137.54 41.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . . . -84.04 150.82 25.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.465 ' CD2' ' HD2' ' A' ' 55' ' ' LYS . 8.1 mt -127.64 144.38 51.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.9 p -141.51 174.04 10.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 tp -59.09 -30.5 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -66.88 -16.6 64.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.95 -139.01 10.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.0 p -86.53 163.11 17.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 111.149 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -126.81 -174.99 13.96 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 166.5 27.39 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.29 165.49 18.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.08 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.471 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 70.9 p -89.2 133.8 34.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.1 OUTLIER -36.91 144.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.554 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 42.6 m95 -55.63 103.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.6 tp -95.58 113.18 24.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 56.8 m -87.08 143.16 27.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.3 130.73 21.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -100.37 120.75 40.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.4 p -70.72 169.62 14.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -84.77 119.06 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -39.64 -34.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m -144.72 177.04 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -98.2 111.52 23.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.2 tp -134.81 111.09 9.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -83.93 97.1 9.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -138.66 117.19 12.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 24.4 p -128.85 160.14 33.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.6 ptt85 -166.54 129.58 1.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.34 141.16 35.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.619 0.723 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 179.09 3.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -130.1 125.28 34.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 33.4 m -80.37 172.56 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 m -105.6 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -117.05 154.79 16.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -174.39 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.372 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.6 m -120.17 -33.71 3.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 37.1 m 43.15 48.09 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 t -131.14 80.71 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 110.876 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -164.16 148.2 9.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.35 132.93 3.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -116.24 108.1 15.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.906 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' GLY . 51.9 p -110.86 -63.46 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.23 -114.3 0.2 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -52.2 179.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.813 0.34 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.8 p -47.87 143.22 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.25 164.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.3 t -98.93 139.83 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.421 ' N ' ' CD ' ' A' ' 12' ' ' ARG . 1.6 mpt_? -99.21 166.55 11.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m -93.26 32.47 1.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.19 118.06 33.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.9 p -107.52 135.32 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -39.98 -58.45 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.8 m -47.19 151.5 1.23 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.629 0.728 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 153.34 68.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.647 2.232 . . . . 0.0 112.318 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 t -127.29 35.85 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -114.28 124.93 53.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.6 149.79 37.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.7 Cg_endo -69.7 135.51 30.79 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.333 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -102.49 175.65 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 58.77 43.22 18.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.3 tp -73.14 146.34 45.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -164.26 162.32 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.0 mt -134.96 103.61 5.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -84.48 93.06 8.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.413 ' CG1' ' CE2' ' A' ' 114' ' ' PHE . 93.2 t -58.38 94.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -70.21 -42.15 72.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -146.03 161.75 39.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.3 m -62.64 -14.34 42.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.54 -11.48 11.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 p -126.44 138.67 53.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.9 mt -134.13 114.67 19.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.9 tpp -83.59 142.29 30.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.416 ' CD1' HG23 ' A' ' 56' ' ' ILE . 16.2 mt -111.85 137.21 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -129.22 117.52 20.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 41.3 p90 -134.97 167.27 21.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -125.92 151.45 71.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 143.73 51.95 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.256 . . . . 0.0 112.398 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 171.06 15.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.54 152.24 26.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.576 0.703 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -40.05 5.76 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.43 -48.01 77.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 47' ' ' GLN . 70.4 p -61.98 -55.23 31.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 46' ' ' THR . 61.1 mt-30 -35.3 134.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -109.96 34.96 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 152.27 -139.53 7.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -120.64 134.24 55.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.2 mt -78.08 137.23 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.9 p -109.03 -29.41 8.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.68 161.21 29.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -109.44 138.48 45.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.953 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -96.0 99.41 11.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.416 HG23 ' CD1' ' A' ' 37' ' ' ILE . 74.0 mt -93.12 113.66 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -118.72 133.94 55.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.531 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 32.2 p90 -132.66 146.52 51.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.46 ' NH2' ' CD1' ' A' ' 108' ' ' TRP . 24.2 ptt180 -135.93 174.29 10.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -93.23 136.23 33.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.38 -47.96 80.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 m -69.44 -44.47 71.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -118.6 68.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -45.21 -42.14 8.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t -44.54 -35.86 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -77.5 97.41 5.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.5 p -129.08 141.38 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.509 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 88.3 m -118.68 142.89 47.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.493 ' OE2' ' N ' ' A' ' 70' ' ' THR . 3.4 tm-20 -90.04 142.47 27.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.493 ' N ' ' OE2' ' A' ' 69' ' ' GLU . 47.2 m -146.6 107.95 4.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.467 ' N ' ' OE2' ' A' ' 69' ' ' GLU . 10.3 mt -96.32 163.27 13.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.1 m -146.15 -175.61 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 m -80.57 151.95 28.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.69 -29.37 74.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.1 t -91.85 -6.0 52.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.736 0.303 . . . . 0.0 111.147 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.458 ' NE2' ' OE1' ' A' ' 79' ' ' GLN . 21.2 tt0 -88.84 116.07 26.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.6 mt -101.75 21.61 14.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.407 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 92.5 p -149.26 161.58 41.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.458 ' OE1' ' NE2' ' A' ' 76' ' ' GLN . 27.3 tp60 -160.96 125.05 3.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.7 tp -98.29 110.82 23.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.9 mm -96.01 108.9 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -103.76 158.88 16.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.33 48.49 1.85 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 mt -120.74 171.98 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.31 147.86 30.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -70.96 159.66 34.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 45.4 55.59 6.74 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.2 m -152.0 118.7 5.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.791 0.329 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.09 135.04 53.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -130.7 148.98 52.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.466 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 1.2 m-80 -112.11 150.35 30.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.531 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 16.9 m-85 -144.07 150.75 38.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.508 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 10.1 ptm180 -141.74 129.06 21.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.2 t -109.57 127.62 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.49 147.3 52.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.51 141.23 28.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 mt -122.28 134.61 54.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 50.4 p -131.2 174.56 9.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.9 tp -53.46 -35.23 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -58.8 -22.53 58.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 141.63 -103.49 0.34 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 41.2 p -123.21 170.97 9.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 111.141 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.68 -172.76 13.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.424 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.77 163.83 36.81 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -123.17 149.93 43.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.467 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 80.5 p -78.36 152.91 32.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -46.27 168.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.508 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 25.4 m95 -82.33 97.73 8.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.3 tp -87.48 117.5 26.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 p -98.04 130.38 44.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -128.16 139.02 52.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.078 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -101.6 126.56 48.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.66 163.73 27.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.413 ' CE2' ' CG1' ' A' ' 29' ' ' VAL . 49.2 m-85 -75.26 122.97 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -47.19 -22.07 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.4 m -140.01 140.18 36.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 118' ' ' LEU . 0.9 OUTLIER -47.03 -43.97 20.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 117' ' ' ASP . 4.2 tp -35.42 113.54 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.16 163.17 28.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -107.26 172.88 6.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.8 t -99.98 146.68 26.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -156.59 127.3 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 12.9 m -96.3 104.0 15.86 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.48 51.03 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.357 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -150.04 117.04 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.7 p -145.1 138.5 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.3 m -147.46 130.73 16.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 170.34 114.64 0.32 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.509 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 171.5 14.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.391 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.0 t -139.77 172.85 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 t -156.08 176.22 12.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.504 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.632 0.73 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 143.16 49.87 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.3 t -117.62 33.48 5.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -133.15 137.25 46.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.843 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -114.53 168.73 7.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 0.0 111.098 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.843 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.75 145.18 56.45 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.484 ' NE2' ' HA ' ' A' ' 42' ' ' PRO . 1.9 mp0 -109.35 -179.7 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 53.91 36.9 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.2 tp -65.27 134.9 54.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.523 ' O ' HD23 ' A' ' 27' ' ' LEU . 1.5 p -148.0 156.59 42.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 26' ' ' SER . 29.2 mt -130.46 96.31 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 28' ' ' GLU . 5.0 tm-20 -84.8 89.84 7.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -53.67 111.23 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.444 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 11.4 mmm180 -81.13 -48.78 11.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -141.33 176.04 9.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.9 p -74.66 -3.21 29.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -123.79 -15.62 6.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.469 ' OG ' HD11 ' A' ' 80' ' ' LEU . 29.5 t -125.9 158.66 34.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.6 mt -148.31 125.27 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.444 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 5.2 tpt -84.18 135.01 34.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.592 HD12 HD13 ' A' ' 56' ' ' ILE . 3.5 mt -111.56 123.91 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -121.39 115.57 23.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.598 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 36.9 p90 -133.84 154.51 50.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.426 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -110.58 149.94 40.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 110.965 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 146.72 61.43 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.484 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 54.0 Cg_endo -69.81 168.5 21.44 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.324 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.59 153.03 22.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.627 0.727 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -43.7 2.51 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.359 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.29 -43.54 67.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.07 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.7 p -71.33 -41.05 70.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -45.56 103.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -86.79 37.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 141.26 165.61 10.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -66.2 138.76 57.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.471 ' HA ' HG22 ' A' ' 98' ' ' THR . 59.9 mt -81.03 137.67 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 37.2 p -104.72 -26.63 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.21 172.84 39.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -119.87 150.34 40.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.917 0.389 . . . . 0.0 110.953 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -110.46 100.85 9.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.729 HG12 HG22 ' A' ' 94' ' ' VAL . 58.6 mt -91.23 110.64 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -117.53 145.34 44.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.551 ' CE1' ' HB ' ' A' ' 68' ' ' THR . 1.5 p90 -146.75 156.6 43.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -139.57 177.6 7.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.436 ' HG2' ' CE1' ' A' ' 90' ' ' TYR . 64.2 mttt -100.08 129.98 46.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.18 -23.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.1 m -94.15 -28.53 15.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -130.11 89.28 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -71.15 -35.65 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 t -56.9 -35.14 68.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -81.1 108.73 15.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.0 t -125.09 151.0 30.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.551 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 71.8 m -113.66 132.32 55.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -92.76 136.0 33.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.5 m -145.28 116.56 7.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.438 ' CD1' ' CD1' ' A' ' 97' ' ' LEU . 46.2 tp -109.6 127.62 54.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.409 HG11 ' HB2' ' A' ' 79' ' ' GLN . 25.6 m -112.89 -176.66 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m -77.97 163.37 26.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.3 -46.08 74.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 t -82.98 18.71 1.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.724 0.297 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -102.17 116.5 32.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.3 mt -110.99 20.33 17.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.0 p -156.79 138.71 14.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 56' ' ' ILE . 25.5 tp60 -143.47 139.22 29.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.469 HD11 ' OG ' ' A' ' 34' ' ' SER . 47.6 tp -105.17 115.25 29.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.6 mm -99.73 104.9 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -100.95 161.17 13.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.61 46.24 1.83 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.7 mt -120.39 173.31 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.39 153.33 28.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -72.64 160.72 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.46 55.82 5.82 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 87.7 m -151.93 133.22 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 0.0 111.145 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -81.72 143.5 31.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.436 ' CE1' ' HG2' ' A' ' 60' ' ' LYS . 66.2 m-85 -142.94 135.36 27.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -97.61 130.81 44.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -123.27 152.88 40.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.533 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 15.3 ptt85 -152.43 141.53 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.729 HG22 HG12 ' A' ' 56' ' ' ILE . 59.6 t -118.03 139.63 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.49 146.75 46.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.24 147.25 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.596 ' CD2' HG22 ' A' ' 102' ' ' THR . 5.0 mt -129.61 143.45 50.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.471 HG22 ' HA ' ' A' ' 51' ' ' ILE . 70.2 p -139.02 178.8 6.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 19.0 tt -61.4 -24.87 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -72.01 -15.65 62.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.76 -120.57 1.96 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.596 HG22 ' CD2' ' A' ' 97' ' ' LEU . 16.8 p -113.61 173.0 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 111.149 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -128.16 -175.95 14.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.416 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.5 Cg_endo -69.79 164.25 35.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.234 . . . . 0.0 112.364 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.533 ' HB1' ' HD2' ' A' ' 93' ' ' ARG . . . -117.06 148.15 41.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.084 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 94' ' ' VAL . 60.4 p -76.28 152.38 36.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -44.14 168.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -86.07 97.8 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.5 tp -92.93 118.83 31.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 97.0 p -92.01 135.08 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -130.97 129.18 41.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -99.26 117.91 34.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.2 p -63.95 170.78 3.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -85.48 126.04 33.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -48.7 -24.26 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.838 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.613 0.72 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.41 57.05 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 2.264 . . . . 0.0 112.323 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -125.62 24.69 7.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -115.34 126.54 54.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.8 154.45 38.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.426 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.8 Cg_endo -69.76 145.58 57.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.652 2.234 . . . . 0.0 112.364 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -112.12 -176.35 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 53.39 37.88 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.7 tp -70.56 151.6 44.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.502 ' O ' HD23 ' A' ' 27' ' ' LEU . 3.4 m -169.66 162.45 9.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 26' ' ' SER . 15.4 mt -132.98 103.6 6.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -88.39 87.69 7.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.8 92.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -64.93 -51.3 62.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -130.73 -175.82 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.2 p -79.57 -21.14 45.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.13 -2.09 14.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.8 t -126.73 157.15 39.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.459 HD12 ' HZ ' ' A' ' 92' ' ' PHE . 74.8 mt -152.3 120.72 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.1 tpp -89.05 133.17 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.719 ' CD1' HG21 ' A' ' 56' ' ' ILE . 14.5 mt -105.77 134.16 48.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -125.5 114.89 19.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.582 ' CH2' HD11 ' A' ' 56' ' ' ILE . 39.6 p90 -131.66 165.71 23.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 -126.51 151.88 73.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 143.45 50.83 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.407 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 53.8 Cg_endo -69.74 171.02 15.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.46 152.21 56.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 111.043 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -38.6 7.58 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.52 -34.77 74.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.424 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 82.8 p -80.55 -47.03 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' THR . 36.6 mt-30 -38.52 146.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -121.26 37.91 4.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.83 -163.34 26.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.532 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -93.68 131.92 38.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.729 0.3 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.626 HD13 ' OH ' ' A' ' 54' ' ' TYR . 61.6 mt -75.75 123.58 32.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.7 p -94.39 -43.46 8.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.83 -179.56 32.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.626 ' OH ' HD13 ' A' ' 51' ' ' ILE . 49.9 m-85 -131.84 124.5 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.965 0.412 . . . . 0.0 110.882 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -88.25 103.23 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.719 HG21 ' CD1' ' A' ' 37' ' ' ILE . 74.8 mt -103.22 112.7 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -114.11 156.16 24.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.433 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 40.4 p90 -157.3 144.54 18.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.481 ' HB3' HG22 ' A' ' 67' ' ' VAL . 20.9 ptt180 -132.87 167.48 20.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -85.48 126.7 34.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.2 -34.86 2.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.6 p -83.96 -45.18 13.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.0 tpt85 -110.58 92.62 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -71.54 -50.5 30.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.4 t -42.43 -31.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -83.21 104.61 13.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.481 HG22 ' HB3' ' A' ' 59' ' ' ARG . 5.7 t -128.66 145.41 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.8 m -120.72 132.32 55.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -95.68 137.1 35.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 78.9 m -130.57 125.1 33.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -104.54 130.01 52.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.592 ' N ' HD13 ' A' ' 71' ' ' LEU . 33.5 m -124.86 179.31 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.9 t -85.42 157.23 20.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.89 -58.63 12.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -61.91 -14.24 32.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 0.0 111.145 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.489 ' NE2' ' OE1' ' A' ' 79' ' ' GLN . 28.9 tt0 -77.99 113.69 16.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.0 mt -104.88 13.11 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.4 p -141.02 157.69 44.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.489 ' OE1' ' NE2' ' A' ' 76' ' ' GLN . 34.9 tp60 -163.32 129.12 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.8 tp -98.26 118.06 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 50.2 mm -99.7 104.85 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -99.2 168.01 10.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.43 41.78 4.72 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 mt -119.49 161.1 21.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.1 142.11 30.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -66.61 158.76 29.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.78 56.35 11.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.536 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.405 ' HB ' ' CE2' ' A' ' 90' ' ' TYR . 80.5 m -156.29 137.6 13.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.712 0.292 . . . . 0.0 111.132 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -81.09 143.38 32.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.405 ' CE2' ' HB ' ' A' ' 88' ' ' THR . 96.2 m-85 -140.9 136.41 32.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -97.86 142.33 29.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.459 ' HZ ' HD12 ' A' ' 35' ' ' ILE . 77.6 m-85 -134.97 157.65 46.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.488 ' CD ' ' CH2' ' A' ' 108' ' ' TRP . 8.4 ptm180 -155.55 127.71 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.583 HG22 HG12 ' A' ' 56' ' ' ILE . 86.7 t -104.36 134.13 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.78 137.57 41.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.54 ' HA ' ' CD1' ' A' ' 54' ' ' TYR . . . -83.1 149.73 26.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.581 HD23 ' HA ' ' A' ' 102' ' ' THR . 11.8 mt -121.71 146.14 47.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -141.86 169.85 16.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.4 tt -58.9 -22.21 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -76.92 -10.05 59.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.97 -122.62 3.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.581 ' HA ' HD23 ' A' ' 97' ' ' LEU . 30.9 p -109.56 161.02 15.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.83 0.348 . . . . 0.0 111.117 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -115.45 -174.38 17.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 152.75 69.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.459 ' HB1' ' HE ' ' A' ' 93' ' ' ARG . . . -116.09 137.27 52.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.426 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 69.5 p -62.44 157.67 19.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -51.26 169.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.488 ' CH2' ' CD ' ' A' ' 93' ' ' ARG . 31.6 m95 -79.07 92.4 5.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.416 HD23 ' HG ' ' A' ' 27' ' ' LEU . 11.2 tp -86.36 113.41 22.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.7 p -92.76 143.42 26.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -139.32 136.6 35.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -98.56 118.26 34.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.415 HG23 HD11 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -71.58 157.36 38.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -67.25 122.9 18.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -49.07 -25.2 1.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.758 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 121.578 0.704 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.42 ' HA ' ' ND2' ' A' ' 48' ' ' ASN . 53.8 Cg_endo -69.75 164.28 35.11 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.744 2.296 . . . . 0.0 112.33 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 t -131.22 20.46 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.543 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -109.46 130.22 55.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.626 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.72 161.69 22.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.557 0.694 . . . . 0.0 111.083 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.626 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.78 133.11 24.75 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.514 ' NE2' ' HA ' ' A' ' 42' ' ' PRO . 2.1 mp0 -99.49 175.32 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 59.25 38.52 23.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 tp -69.06 152.31 45.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -171.06 162.71 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.607 HD23 HG23 ' A' ' 37' ' ' ILE . 17.2 mt -133.52 101.19 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 30' ' ' ARG . 24.6 tp10 -84.07 93.28 8.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.41 80.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' GLU . 20.5 mmm180 -52.28 -51.58 57.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -138.64 178.91 6.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.2 p -72.97 -22.93 60.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.09 8.36 15.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.9 p -143.75 129.7 19.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.545 HD11 HG23 ' A' ' 113' ' ' THR . 65.8 mt -128.15 114.99 36.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.454 ' SD ' ' CE1' ' A' ' 38' ' ' HIS . 5.2 ttm -80.53 146.87 31.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.721 HD12 HG21 ' A' ' 56' ' ' ILE . 2.1 mt -116.69 127.92 74.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.454 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 95.1 m-70 -120.09 115.24 23.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.846 ' CH2' HD11 ' A' ' 56' ' ' ILE . 33.1 p90 -135.17 158.84 43.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.446 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -117.83 154.3 51.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.634 0.73 . . . . 0.0 110.878 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' HD13 ' A' ' 77' ' ' LEU . 54.1 Cg_endo -69.72 144.36 54.01 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.729 2.286 . . . . 0.0 112.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.514 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.82 165.16 31.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.75 152.76 34.92 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.582 0.706 . . . . 0.0 111.11 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -46.16 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.385 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.14 -16.33 12.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 69.1 p -100.86 -18.22 16.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -73.1 114.81 11.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.42 ' ND2' ' HA ' ' A' ' 18' ' ' PRO . 9.0 m-20 -87.67 28.93 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 151.14 -171.2 30.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -87.09 137.98 31.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.599 HD13 ' OH ' ' A' ' 54' ' ' TYR . 60.5 mt -80.01 131.92 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.9 p -102.68 -25.25 13.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.55 170.41 39.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.53 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.599 ' OH ' HD13 ' A' ' 51' ' ' ILE . 94.2 m-85 -120.18 133.55 55.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.941 0.401 . . . . 0.0 110.877 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.491 ' HE3' HD21 ' A' ' 97' ' ' LEU . 13.3 ttmt -95.86 102.41 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.846 HD11 ' CH2' ' A' ' 39' ' ' TRP . 54.8 mt -97.7 127.26 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.5 mtp85 -126.12 147.41 49.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.58 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 52.8 p90 -147.37 142.33 26.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.535 ' NH2' ' CE2' ' A' ' 108' ' ' TRP . 22.7 ptt180 -140.27 177.56 7.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -93.71 135.12 35.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.45 -43.1 16.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -79.53 -52.21 8.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -99.26 84.6 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -73.88 -39.39 63.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.3 m -43.16 -54.64 4.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -68.13 107.33 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 65' ' ' SER . 2.6 t -124.99 152.03 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.402 HG21 ' OH ' ' A' ' 58' ' ' TYR . 49.8 m -114.05 144.88 42.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -108.34 119.71 40.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 m -131.3 103.04 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.697 HD23 ' N ' ' A' ' 72' ' ' VAL . 1.2 tt -100.41 130.04 46.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.697 ' N ' HD23 ' A' ' 71' ' ' LEU . 5.9 m -110.95 179.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 t -69.48 163.69 24.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.77 -39.39 93.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -85.06 1.8 46.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.755 0.312 . . . . 0.0 111.169 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -86.66 117.71 25.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.402 HD13 ' HD3' ' A' ' 41' ' ' PRO . 71.2 mt -113.55 24.94 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.1 p -158.7 148.58 19.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.816 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.489 ' OE1' ' CG1' ' A' ' 72' ' ' VAL . 51.0 tp60 -150.97 155.08 38.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' A' ' 79' ' ' GLN . 26.7 tp -121.06 113.61 20.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 14.1 mm -95.63 93.44 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -91.49 155.08 18.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.61 48.12 2.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.478 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 27.2 mt -115.8 -177.05 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -117.89 140.03 50.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -66.26 163.77 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.59 56.57 2.0 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 76.6 m -154.56 126.38 7.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.105 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -65.21 141.79 58.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.478 ' CE2' ' HB3' ' A' ' 84' ' ' LEU . 36.7 m-85 -138.45 135.5 35.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -97.73 150.49 21.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 74.2 m-85 -148.85 145.89 27.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -148.25 135.98 20.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.735 ' O ' HG23 ' A' ' 106' ' ' THR . 45.7 t -113.11 133.89 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.33 147.35 52.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.95 147.62 22.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.491 HD21 ' HE3' ' A' ' 55' ' ' LYS . 6.8 mt -125.43 136.69 53.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.4 p -137.34 175.5 9.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.5 tt -59.73 -23.01 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -73.94 -14.62 61.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 132.3 -125.23 4.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.409 HG23 ' CD2' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -105.36 154.21 20.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -109.43 -166.76 20.25 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.457 ' HG3' ' C ' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.8 168.47 21.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.234 . . . . 0.0 112.337 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -127.35 135.8 51.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.735 HG23 ' O ' ' A' ' 94' ' ' VAL . 50.3 p -65.33 147.91 52.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.46 138.65 39.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.535 ' CE2' ' NH2' ' A' ' 59' ' ' ARG . 49.3 m95 -52.17 106.33 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.3 tp -101.28 116.84 33.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.8 m -89.78 142.77 27.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -137.07 138.63 40.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -104.32 118.09 35.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.545 HG23 HD11 ' A' ' 35' ' ' ILE . 1.2 p -69.72 165.65 20.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 116' ' ' SER . 63.8 m-85 -77.01 126.27 30.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -41.91 -24.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 114' ' ' PHE . 2.1 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.642 0.734 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 155.46 66.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -120.87 12.76 11.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.47 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -105.28 127.88 53.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.666 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.2 162.81 18.49 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.666 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.8 Cg_endo -69.76 142.85 49.05 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 42' ' ' PRO . 1.8 mp0 -108.89 178.49 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 58.6 34.37 23.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.432 HD22 ' CB ' ' A' ' 106' ' ' THR . 59.0 tp -65.2 152.72 42.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.56 ' O ' HD23 ' A' ' 27' ' ' LEU . 3.1 m -171.38 162.92 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.704 HD23 HG23 ' A' ' 37' ' ' ILE . 26.7 mt -133.72 98.96 4.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' MET . 8.6 tp10 -83.53 90.35 7.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.7 t -57.21 84.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 28' ' ' GLU . 48.3 mmm-85 -53.53 -50.08 66.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -141.1 -175.65 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.8 m -78.66 -7.85 58.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.93 4.51 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.2 p -141.63 125.08 16.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.9 mt -122.61 121.09 62.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.5 ttm -88.96 139.75 30.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.704 HG23 HD23 ' A' ' 27' ' ' LEU . 4.1 mt -111.47 131.98 61.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -123.62 118.64 27.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.708 ' CH2' HD11 ' A' ' 56' ' ' ILE . 39.1 p90 -136.85 168.94 18.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -128.31 153.21 78.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.59 0.71 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.457 ' HD3' ' CD1' ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.76 144.28 53.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.434 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 53.3 Cg_endo -69.77 163.48 38.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.35 152.5 23.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -40.57 5.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.08 -47.55 74.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.47 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 25.4 p -68.58 -51.81 38.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' THR . 39.7 mt-30 -36.74 133.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -103.09 33.53 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 146.52 -153.78 25.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -99.12 150.69 21.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.322 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.2 mt -96.87 133.89 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.9 p -104.55 -35.12 7.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.06 176.8 45.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -123.7 157.3 34.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.911 0.386 . . . . 0.0 110.953 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -116.24 104.89 11.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.708 HD11 ' CH2' ' A' ' 39' ' ' TRP . 82.9 mt -97.88 104.19 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -111.63 136.37 50.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.488 ' CZ ' ' HB ' ' A' ' 68' ' ' THR . 21.9 p90 -135.08 144.74 47.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -134.02 178.88 6.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -101.36 135.9 42.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.32 -58.33 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.1 t -57.69 -56.27 24.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -99.0 89.95 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.87 42.94 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 m -130.74 -33.38 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -88.65 99.62 12.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.71 135.01 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.488 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 84.7 m -106.43 141.06 38.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.19 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -98.99 136.3 39.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.2 m -131.06 119.3 21.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.715 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.4 OUTLIER -98.82 139.05 35.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.715 ' N ' HD13 ' A' ' 71' ' ' LEU . 31.0 m -129.87 172.81 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.9 t -75.51 153.96 37.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.52 -44.99 97.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.6 t -79.48 4.79 14.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.73 0.3 . . . . 0.0 111.135 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -97.51 109.65 22.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.457 ' CD1' ' HD3' ' A' ' 41' ' ' PRO . 77.1 mt -103.34 18.83 20.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.9 p -148.39 143.0 26.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.544 ' NE2' HG12 ' A' ' 72' ' ' VAL . 3.9 tp-100 -146.83 156.2 42.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' A' ' 79' ' ' GLN . 27.4 tp -123.86 110.22 14.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.6 mm -95.39 107.57 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -103.3 162.64 12.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.34 43.66 3.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mt -122.77 160.45 25.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -93.22 151.03 20.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.1 165.82 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.1 50.41 4.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.7 m -146.44 132.17 18.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -75.75 145.24 40.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -142.7 143.27 32.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -100.13 144.89 28.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.461 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 75.7 m-85 -141.29 142.99 33.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.459 ' HD2' ' CZ2' ' A' ' 108' ' ' TRP . 11.3 ptm180 -145.41 124.68 12.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.457 HG22 HG12 ' A' ' 56' ' ' ILE . 94.8 t -103.38 134.72 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.75 151.78 51.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.04 142.88 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.8 mt -118.55 129.81 55.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.0 p -129.3 178.12 6.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.7 tt -61.58 -22.23 27.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -75.18 -13.6 60.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 130.5 -120.54 3.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.74 147.05 29.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.351 . . . . 0.0 111.078 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -105.89 -172.91 23.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.484 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.48 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 54.4 Cg_endo -69.76 158.26 57.57 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.243 . . . . 0.0 112.366 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.72 142.15 48.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.442 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 63.9 p -65.24 147.14 53.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.83 134.23 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.459 ' CZ2' ' HD2' ' A' ' 93' ' ' ARG . 45.3 m95 -45.8 109.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.9 tp -102.85 113.5 26.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.2 m -84.52 147.46 27.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.405 ' HB2' HD12 ' A' ' 27' ' ' LEU . . . -146.1 131.58 18.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -101.49 113.86 27.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.24 169.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.44 ' O ' ' N ' ' A' ' 116' ' ' SER . 7.7 m-85 -76.7 118.4 19.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -41.96 -24.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 114' ' ' PHE . 4.8 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.639 0.733 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 148.39 65.24 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 t -125.47 48.12 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.494 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -136.31 131.93 35.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.419 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -111.95 155.49 43.21 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.559 0.695 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HG3' HG12 ' A' ' 94' ' ' VAL . 53.6 Cg_endo -69.78 135.77 31.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -101.84 176.09 5.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 59.76 35.66 22.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.6 tp -63.62 140.43 58.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.0 m -156.66 161.78 39.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.746 HD23 HG23 ' A' ' 37' ' ' ILE . 6.1 mt -135.35 105.65 6.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' ARG . 25.4 tp10 -91.11 79.95 5.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.0 t -45.61 92.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' GLU . 47.8 mmm-85 -61.62 -54.78 38.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -137.17 -177.42 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.534 ' O ' HG21 ' A' ' 113' ' ' THR . 53.8 p -72.0 -26.31 62.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -113.8 8.05 17.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.2 p -138.43 131.15 29.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.4 mt -130.65 111.99 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.402 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 2.5 ttm -83.66 130.17 34.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.834 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.746 HG23 HD23 ' A' ' 27' ' ' LEU . 5.0 mt -104.49 130.64 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.092 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.402 ' CD2' ' HG2' ' A' ' 36' ' ' MET . 74.9 m-70 -125.56 116.63 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.774 ' CH2' HD11 ' A' ' 56' ' ' ILE . 39.0 p90 -133.06 168.81 17.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -118.51 147.61 42.32 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.475 ' HD3' HD13 ' A' ' 77' ' ' LEU . 54.2 Cg_endo -69.75 144.96 55.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 171.15 15.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.721 2.281 . . . . 0.0 112.311 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.72 148.47 26.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.611 0.719 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -8.77 24.44 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.22 -25.76 15.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.494 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 22.0 p -92.37 -32.76 14.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 46' ' ' THR . 46.6 mt-30 -33.15 -35.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 46' ' ' THR . 20.0 t-20 63.48 25.71 14.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.32 172.24 13.06 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -64.49 145.06 56.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.311 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.46 HD13 ' OH ' ' A' ' 54' ' ' TYR . 83.5 mt -91.39 128.45 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.9 p -91.95 -34.68 14.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.429 ' HA2' ' C ' ' A' ' 73' ' ' SER . . . -176.55 159.01 25.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.534 ' O ' HD23 ' A' ' 71' ' ' LEU . 44.0 m-85 -106.87 124.69 49.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.947 0.403 . . . . 0.0 110.928 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.577 ' HB2' HD11 ' A' ' 97' ' ' LEU . 36.0 tttt -90.14 113.86 25.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.774 HD11 ' CH2' ' A' ' 39' ' ' TRP . 69.0 mt -101.09 107.47 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -107.97 141.7 39.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.45 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 16.8 p90 -149.19 152.25 35.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.54 ' NH2' ' CD1' ' A' ' 108' ' ' TRP . 17.0 ptt180 -140.62 179.08 6.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -92.21 137.14 32.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.43 -23.4 9.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.7 t -90.83 -41.31 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -119.75 109.7 15.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.838 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' SER . 0.9 OUTLIER -88.69 -50.19 6.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LYS . 89.4 p -37.14 -42.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -80.57 110.19 15.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.9 t -124.44 151.79 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.6 m -122.91 128.75 50.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.416 ' CD ' ' C ' ' A' ' 69' ' ' GLU . 4.4 tm-20 -86.52 140.91 29.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.481 HG21 ' CD1' ' A' ' 81' ' ' ILE . 90.7 m -147.78 105.17 3.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.876 HD21 ' CD1' ' A' ' 97' ' ' LEU . 13.3 mt -92.82 162.91 13.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.603 HG11 ' HB2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -130.32 -77.42 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.57 ' H ' HG23 ' A' ' 72' ' ' VAL . 0.9 OUTLIER -172.55 169.06 5.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.76 -47.37 83.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -102.83 35.04 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 0.0 111.168 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.428 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 18.5 tt0 -111.47 114.23 27.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.475 HD13 ' HD3' ' A' ' 41' ' ' PRO . 21.1 mt -108.76 27.12 9.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.2 p -153.07 155.15 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.603 ' HB2' HG11 ' A' ' 72' ' ' VAL . 33.8 tp60 -164.16 154.2 14.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.9 tp -122.23 112.55 18.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.481 ' CD1' HG21 ' A' ' 70' ' ' THR . 28.6 mm -96.98 98.48 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -95.13 168.81 10.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.0 40.96 7.32 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.448 HD11 ' O ' ' A' ' 81' ' ' ILE . 2.0 mt -114.07 171.53 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.43 155.65 18.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -80.97 160.1 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 43.64 52.53 6.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.9 m -146.31 120.71 9.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.099 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -65.11 143.4 57.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -142.98 135.02 27.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.425 ' HB3' ' CE3' ' A' ' 108' ' ' TRP . 1.5 m-80 -97.9 129.49 44.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.45 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 97.6 m-85 -124.16 152.83 42.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.559 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 7.3 ptp180 -153.54 134.59 13.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.808 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' A' ' 22' ' ' PRO . 61.0 t -103.69 141.3 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.54 147.74 39.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.38 150.26 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.876 ' CD1' HD21 ' A' ' 71' ' ' LEU . 10.3 mt -130.04 142.85 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.2 p -140.64 176.19 8.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.7 tp -54.99 -35.93 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -60.33 -20.53 59.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.31 -118.45 1.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.452 HG22 ' CD2' ' A' ' 97' ' ' LEU . 21.9 p -110.28 164.53 12.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 111.17 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -119.36 -174.88 15.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.491 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.7 Cg_endo -69.8 169.34 19.2 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.697 2.264 . . . . 0.0 112.306 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.99 147.71 50.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.057 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 69.4 p -76.71 161.27 28.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -51.12 169.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.559 ' CZ3' ' HG2' ' A' ' 93' ' ' ARG . 24.9 m95 -87.15 95.43 9.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.5 tp -86.79 117.55 25.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.5 p -88.19 133.63 33.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -133.06 130.91 39.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -104.84 116.64 32.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.534 HG21 ' O ' ' A' ' 32' ' ' SER . 0.8 OUTLIER -59.67 167.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -79.67 121.37 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -42.58 -30.45 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.817 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.634 0.73 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HA ' ' ND2' ' A' ' 48' ' ' ASN . 54.1 Cg_endo -69.72 84.13 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.7 p -72.09 69.39 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.656 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -169.69 115.43 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.84 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -92.97 168.86 11.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.568 0.699 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.84 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.68 151.57 69.54 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.731 2.287 . . . . 0.0 112.343 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -116.5 177.29 4.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 57.56 28.31 15.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.2 tp -58.11 147.24 30.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.51 ' O ' HD23 ' A' ' 27' ' ' LEU . 34.0 m -162.34 162.3 27.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 26' ' ' SER . 10.9 mt -134.8 99.4 4.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -85.1 87.31 7.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.6 t -52.41 108.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.481 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 3.3 mmp_? -78.47 -54.34 6.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -138.38 173.11 11.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.5 p -67.97 -14.98 63.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -120.43 8.21 10.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -147.92 139.26 23.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.557 HD11 HG23 ' A' ' 113' ' ' THR . 96.4 mt -134.3 122.33 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.481 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 6.1 tpt -84.15 131.91 34.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.631 HD12 HD13 ' A' ' 56' ' ' ILE . 2.9 mt -103.94 140.01 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.435 ' NE2' ' HG2' ' A' ' 36' ' ' MET . 90.1 m-70 -134.97 115.2 13.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.684 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 28.8 p90 -135.42 155.94 49.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -116.08 152.7 48.01 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.586 0.707 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 145.45 57.56 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 168.24 22.18 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.701 2.267 . . . . 0.0 112.38 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.84 152.55 48.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.579 0.704 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -38.76 7.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.68 -39.74 71.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.656 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 6.7 p -76.46 -50.34 14.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -48.96 107.38 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -107.08 33.6 3.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.62 172.83 45.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.448 ' OE1' ' C ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -89.91 117.8 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.331 . . . . 0.0 110.914 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.499 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 89.1 mt -68.16 114.52 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.5 p -94.63 -23.07 17.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.32 166.83 32.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.78 ' O ' HD12 ' A' ' 71' ' ' LEU . 45.0 m-85 -117.5 159.78 22.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.947 0.404 . . . . 0.0 110.928 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.82 ' HD2' HD21 ' A' ' 97' ' ' LEU . 24.9 mttp -120.8 118.3 29.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.684 HD11 ' CZ3' ' A' ' 39' ' ' TRP . 29.4 mt -104.35 106.01 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -104.3 130.86 52.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.453 ' CE1' ' HB ' ' A' ' 68' ' ' THR . 7.7 p90 -136.39 153.79 51.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.622 ' NH2' ' CD1' ' A' ' 108' ' ' TRP . 23.5 ptt180 -143.96 175.86 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' ALA . 34.4 mttp -101.49 125.15 48.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' LYS . . . -37.66 -42.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.2 t -73.02 -55.77 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -106.76 82.32 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -73.1 -46.1 53.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.964 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -38.58 -41.25 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -83.29 111.38 18.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.1 t -124.15 153.75 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.453 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 10.0 m -119.11 146.35 45.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.168 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -106.58 140.15 39.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.8 m -143.06 107.74 4.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 54' ' ' TYR . 30.3 tp -92.42 146.94 23.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.9 m -129.9 -179.17 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 t -75.31 152.38 38.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.46 -27.57 66.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -97.2 14.28 26.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 111.149 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -96.6 125.48 41.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.2 mt -113.25 7.91 17.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.5 m -155.95 152.63 28.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -148.93 150.81 33.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.1 tp -111.24 122.08 46.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.6 mm -103.73 97.2 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -88.04 160.33 17.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.84 47.49 3.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.1 mt -116.31 171.51 7.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.746 0.308 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -105.47 160.08 15.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -85.8 158.68 19.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.8 56.83 3.6 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.427 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.4 m -149.72 134.72 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.722 0.296 . . . . 0.0 111.15 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -73.66 136.6 43.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.48 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . 47.0 m-85 -134.89 132.21 38.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -96.9 141.67 29.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 90' ' ' TYR . 71.0 m-85 -139.72 152.04 46.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.486 ' HD3' ' CZ2' ' A' ' 108' ' ' TRP . 12.3 ptt180 -155.81 130.73 9.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.615 HG22 HG12 ' A' ' 56' ' ' ILE . 47.0 t -105.47 137.17 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.38 140.05 48.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.23 148.0 24.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.82 HD21 ' HD2' ' A' ' 55' ' ' LYS . 5.7 mt -128.22 142.4 51.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.405 HG22 ' HA ' ' A' ' 51' ' ' ILE . 71.5 p -142.13 170.5 15.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.7 tt -54.95 -29.77 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.159 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -65.41 -20.41 66.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 143.53 -110.83 0.61 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.471 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.552 HG22 ' CD2' ' A' ' 97' ' ' LEU . 3.1 p -121.65 178.22 4.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -134.02 -177.92 15.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.485 ' HG2' ' CA ' ' A' ' 21' ' ' ALA . 53.8 Cg_endo -69.75 159.72 52.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.41 139.95 49.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.069 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.474 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 73.2 p -68.86 134.36 49.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.3 OUTLIER -36.34 142.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.622 ' CD1' ' NH2' ' A' ' 59' ' ' ARG . 67.2 m95 -56.65 98.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 109' ' ' LEU . 9.5 tp -89.09 116.22 27.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.8 p -90.73 147.88 22.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.37 129.15 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -97.99 113.94 25.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.557 HG23 HD11 ' A' ' 35' ' ' ILE . 1.8 p -58.32 178.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -87.69 125.18 34.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -45.65 -31.54 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.785 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.657 0.741 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 81.19 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.25 . . . . 0.0 112.336 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 t -71.45 69.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.443 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -174.54 121.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.072 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.676 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -89.51 163.55 32.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.523 0.678 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.676 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.8 142.48 47.89 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.642 2.228 . . . . 0.0 112.364 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.475 ' NE2' ' HA ' ' A' ' 42' ' ' PRO . 2.5 mp0 -103.71 177.54 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 54.63 45.73 26.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.4 tp -74.03 148.99 41.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.615 ' O ' HD23 ' A' ' 27' ' ' LEU . 15.7 m -162.78 159.97 24.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.796 ' HG ' HD23 ' A' ' 109' ' ' LEU . 19.4 mt -131.14 96.63 4.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -82.1 91.91 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.5 t -62.61 95.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 mmm-85 -70.32 -47.35 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.9 169.44 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 m -69.62 -10.66 59.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -114.88 -12.02 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.548 ' OG ' HD11 ' A' ' 80' ' ' LEU . 25.0 t -125.32 156.25 38.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.458 HD11 HG23 ' A' ' 113' ' ' THR . 47.0 mt -151.51 108.47 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.9 tpp -77.91 141.43 39.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.69 HD12 HG21 ' A' ' 56' ' ' ILE . 3.1 mt -117.43 120.59 65.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -112.55 116.39 30.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.808 ' CH2' HD11 ' A' ' 56' ' ' ILE . 34.1 p90 -133.4 154.86 50.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -110.52 152.6 43.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.712 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 144.64 54.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.475 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 54.5 Cg_endo -69.69 170.97 15.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.403 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.08 152.18 22.75 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.553 0.692 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -29.83 22.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.299 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.78 -14.44 61.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.1 p -118.39 45.05 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -121.02 -27.89 4.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 38.65 32.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.37 -171.1 28.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -101.12 144.63 29.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.634 ' HA ' HG22 ' A' ' 98' ' ' THR . 80.2 mt -81.17 131.02 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.3 p -95.84 -34.22 11.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.0 162.57 33.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.495 ' O ' HG22 ' A' ' 72' ' ' VAL . 56.5 m-85 -108.78 138.38 45.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.934 0.397 . . . . 0.0 110.886 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.631 ' HB2' HD11 ' A' ' 97' ' ' LEU . 23.6 tttt -100.76 99.23 9.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.808 HD11 ' CH2' ' A' ' 39' ' ' TRP . 37.1 mt -93.2 111.93 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -112.36 136.32 51.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -135.45 143.83 46.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.412 ' NH1' ' OD1' ' A' ' 91' ' ' ASN . 18.3 ptt85 -132.24 174.76 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -103.14 124.9 49.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.43 -46.71 13.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.1 t -65.49 -54.56 26.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -108.16 63.91 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -39.78 -49.28 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.1 m -45.28 -41.11 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.96 94.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.807 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.6 p -129.08 142.16 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.3 m -116.62 141.24 48.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.488 ' CD ' ' CE ' ' A' ' 55' ' ' LYS . 11.7 tt0 -99.88 133.25 44.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.3 m -128.62 127.34 42.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.5 tp -107.4 146.74 31.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 54' ' ' TYR . 17.1 m -138.05 179.63 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.176 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 m -73.59 166.73 22.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -77.19 -40.55 24.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.2 t -80.79 -1.84 44.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.722 0.296 . . . . 0.0 111.173 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.452 ' NE2' ' OE1' ' A' ' 79' ' ' GLN . 30.6 tt0 -90.84 113.43 25.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.8 mt -102.79 12.72 35.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.443 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 96.6 p -142.26 153.54 44.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.452 ' OE1' ' NE2' ' A' ' 76' ' ' GLN . 40.0 tp60 -157.32 140.31 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.548 HD11 ' OG ' ' A' ' 34' ' ' SER . 20.9 tp -107.99 117.82 35.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.2 mm -101.66 102.38 13.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -95.01 166.66 11.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.81 51.14 3.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.1 mt -117.42 171.26 8.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -108.11 129.87 55.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -57.69 157.29 7.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.25 51.55 7.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.2 m -145.3 124.48 12.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.758 0.313 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -69.34 128.55 36.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -127.64 134.8 49.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.983 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.488 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -99.22 147.82 24.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 91' ' ' ASN . 5.3 m-85 -142.69 154.87 44.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.585 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 8.4 ptm180 -150.5 125.21 9.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.66 HG22 HG12 ' A' ' 56' ' ' ILE . 97.1 t -103.19 133.71 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.63 142.2 45.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -87.53 139.77 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.696 ' CD2' HG22 ' A' ' 102' ' ' THR . 6.2 mt -121.43 140.2 52.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.634 HG22 ' HA ' ' A' ' 51' ' ' ILE . 43.6 p -138.95 173.67 11.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.405 ' H ' HG22 ' A' ' 99' ' ' ILE . 2.3 tt -56.55 -32.36 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.09 -17.54 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.76 -133.03 5.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.696 HG22 ' CD2' ' A' ' 97' ' ' LEU . 36.3 p -109.2 168.94 9.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.346 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -123.07 179.0 16.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.481 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.75 151.0 69.02 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.313 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.39 130.11 55.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.472 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 75.3 p -50.13 165.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.21 169.82 0.78 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.585 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 29.3 m95 -80.07 91.46 5.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.796 HD23 ' HG ' ' A' ' 27' ' ' LEU . 8.9 tp -85.97 111.77 20.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.1 m -90.45 138.62 31.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.483 ' HB2' HD12 ' A' ' 27' ' ' LEU . . . -134.76 130.92 36.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -98.14 113.04 24.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.458 HG23 HD11 ' A' ' 35' ' ' ILE . 0.8 OUTLIER -61.24 166.18 3.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -75.9 126.35 30.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -46.55 -23.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.766 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.415 ' HA ' ' CB ' ' A' ' 100' ' ' ASN . 13.1 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 146.62 61.07 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.268 . . . . 0.0 112.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.3 m -124.19 47.27 2.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.554 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -151.01 113.97 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.7 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -81.88 163.95 51.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.705 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.7 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.82 133.65 25.96 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -97.24 -175.33 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 52.86 38.84 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.7 tp -73.14 153.55 40.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -170.47 161.85 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.57 HD23 HG23 ' A' ' 37' ' ' ILE . 20.3 mt -131.29 98.16 4.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -85.29 84.51 7.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.9 t -52.55 94.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -65.11 -48.74 72.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -138.97 -175.65 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.522 ' O ' HG21 ' A' ' 113' ' ' THR . 52.8 p -76.81 -34.13 57.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.8 14.73 31.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.1 t -146.97 153.39 40.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.9 mt -149.8 110.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.468 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 3.3 ttm -78.33 143.79 36.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.57 HG23 HD23 ' A' ' 27' ' ' LEU . 5.2 mt -118.5 133.48 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.468 ' CD2' ' HG2' ' A' ' 36' ' ' MET . 90.7 m-70 -126.16 118.0 24.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.6 ' CH2' HD11 ' A' ' 56' ' ' ILE . 41.3 p90 -131.98 176.65 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -134.88 152.11 76.82 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 140.69 43.28 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 170.96 15.3 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.277 . . . . 0.0 112.382 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.1 152.22 15.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.582 0.706 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -29.53 23.68 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.31 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.17 -30.69 65.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.554 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 71.1 p -100.13 39.28 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -110.48 -51.62 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 63.06 35.56 12.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 145.72 -173.95 25.88 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -101.14 137.74 39.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.1 mt -74.84 142.52 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.5 p -112.34 -42.7 3.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.11 166.68 38.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -111.9 148.59 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 0.0 110.967 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -114.32 91.73 3.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.682 HG12 HG22 ' A' ' 94' ' ' VAL . 58.7 mt -85.96 121.34 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -121.08 136.81 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.577 ' CE1' ' HB ' ' A' ' 68' ' ' THR . 11.7 p90 -137.3 147.83 45.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.482 ' HB3' HG22 ' A' ' 67' ' ' VAL . 35.6 ptt180 -141.25 163.19 33.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -79.6 141.73 36.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.2 13.52 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.2 m -120.56 -31.58 4.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.0 ttt85 -105.26 -32.87 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 40.45 36.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -134.34 -38.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -88.75 113.31 24.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.482 HG22 ' HB3' ' A' ' 59' ' ' ARG . 10.4 t -121.33 143.12 34.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.577 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 34.6 m -115.07 140.92 48.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -98.57 131.49 44.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.0 m -126.39 110.28 13.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.465 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -95.53 129.56 42.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.465 ' N ' HD13 ' A' ' 71' ' ' LEU . 30.5 m -125.5 176.65 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.6 t -75.58 156.28 35.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.51 -58.39 14.59 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t -58.84 -32.1 69.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.723 0.297 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -60.78 114.87 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.413 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 77.9 mt -106.01 25.48 10.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 48.0 m -158.65 164.16 36.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.437 ' HB2' HG11 ' A' ' 72' ' ' VAL . 39.8 tp60 -162.19 141.65 9.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 tp -102.76 110.25 22.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.5 mm -90.18 98.5 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -96.03 165.66 12.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.82 44.39 4.52 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.1 mt -119.3 172.5 7.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -109.66 155.98 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.0 ptt85 -79.09 158.17 27.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.06 53.51 18.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.6 m -150.19 129.12 12.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.762 0.315 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.417 ' CG ' ' OG ' ' A' ' 110' ' ' SER . 31.7 tt0 -75.5 138.85 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -137.36 149.73 47.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -111.03 145.03 39.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.544 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 76.8 m-85 -139.48 153.47 47.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.493 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 4.6 ptm85 -156.86 130.08 7.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.682 HG22 HG12 ' A' ' 56' ' ' ILE . 94.6 t -102.82 148.24 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.7 140.5 27.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.048 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.2 146.93 23.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.61 ' CD2' HG23 ' A' ' 102' ' ' THR . 14.3 mt -123.78 137.93 54.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 47.8 p -137.14 170.28 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.0 tt -56.98 -19.32 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.415 ' CB ' ' HA ' ' A' ' 17' ' ' VAL . 32.3 m-80 -72.66 -15.11 61.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 134.64 -104.28 0.51 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.61 HG23 ' CD2' ' A' ' 97' ' ' LEU . 1.7 m -128.92 151.0 50.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 111.164 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -107.92 -177.82 22.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.465 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.3 Cg_endo -69.78 166.0 29.09 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.329 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.432 ' HB3' HH21 ' A' ' 93' ' ' ARG . . . -127.69 125.59 40.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.061 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 77.0 p -46.24 160.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -57.32 177.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.493 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 25.9 m95 -87.18 99.02 11.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.1 tp -97.37 114.03 25.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.417 ' OG ' ' CG ' ' A' ' 89' ' ' GLU . 5.6 t -88.95 154.49 20.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.07 130.0 14.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -98.31 117.08 31.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.522 HG21 ' O ' ' A' ' 32' ' ' SER . 1.9 p -62.35 168.96 3.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 115' ' ' GLU . 70.5 m-85 -81.8 120.96 25.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 114' ' ' PHE . 54.7 mt-10 -37.16 -37.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.79 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.61 0.719 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.5 63.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.268 . . . . 0.0 112.337 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.0 t -117.25 33.64 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.491 ' C ' ' CG ' ' A' ' 104' ' ' PRO . . . -129.09 134.86 48.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.696 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -115.99 163.86 19.82 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.582 0.706 . . . . 0.0 111.099 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.696 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.76 142.37 47.74 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.268 . . . . 0.0 112.333 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -110.23 -175.53 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 53.78 29.1 9.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 26' ' ' SER . 37.1 tp -59.79 156.13 14.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.404 ' N ' ' HG ' ' A' ' 25' ' ' LEU . 9.0 m -173.02 161.85 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.503 HD23 HG23 ' A' ' 37' ' ' ILE . 5.9 mt -133.79 102.74 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -87.69 87.91 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -53.05 105.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.482 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 10.7 mmm180 -78.59 -45.16 22.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -137.21 -175.7 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.5 p -81.7 -16.18 52.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.37 -10.41 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 p -124.15 142.42 51.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -134.46 129.1 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.482 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 6.1 tpt -89.35 137.74 32.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.627 ' CD1' HG21 ' A' ' 56' ' ' ILE . 4.2 mt -114.38 122.52 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -120.76 120.44 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.655 ' CH2' HD11 ' A' ' 56' ' ' ILE . 37.9 p90 -136.43 166.92 22.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -125.31 153.14 72.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.432 ' HD3' HD13 ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.84 144.35 53.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 170.77 15.77 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.342 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.6 145.01 71.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -31.96 19.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.361 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.02 73.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.6 p -80.31 -45.97 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -39.1 143.97 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -116.75 -16.54 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -163.52 156.25 27.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -55.55 133.93 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.475 HG21 ' CE1' ' A' ' 54' ' ' TYR . 65.5 mt -78.01 122.38 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.0 p -92.39 -29.83 16.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -179.41 169.93 41.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.437 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.48 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 41.6 m-85 -116.26 144.61 44.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 110.913 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -107.38 99.55 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.655 HD11 ' CH2' ' A' ' 39' ' ' TRP . 47.7 mt -93.9 116.7 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 69' ' ' GLU . 29.3 mtt-85 -120.47 146.48 46.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.534 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 1.8 p90 -147.37 157.14 43.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.43 ' HB3' HG22 ' A' ' 67' ' ' VAL . 9.9 ptp180 -142.49 178.98 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -99.61 131.63 45.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.53 -48.92 38.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.0 t -69.08 -39.38 79.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -125.68 84.3 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' SER . 1.8 mptp? -64.34 -46.86 81.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.589 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.5 m -34.69 -52.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -67.48 107.29 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 65' ' ' SER . 2.1 t -128.05 142.48 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.419 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 54.2 m -112.12 124.7 52.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 57' ' ' ARG . 4.3 tm-20 -89.83 129.13 36.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.4 m -127.82 128.1 44.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 54' ' ' TYR . 15.4 tp -107.81 141.5 39.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.74 HG11 ' HB2' ' A' ' 79' ' ' GLN . 9.3 m -127.73 -178.38 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 m -84.08 158.55 21.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.06 -52.48 47.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.9 t -68.16 -5.89 20.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 111.165 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -87.12 119.42 27.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.432 HD13 ' HD3' ' A' ' 41' ' ' PRO . 94.3 mt -107.7 13.66 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.432 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 18.2 m -152.62 152.72 32.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.74 ' HB2' HG11 ' A' ' 72' ' ' VAL . 16.6 tp60 -151.87 140.26 20.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 tp -100.66 125.53 47.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.508 HG13 HD11 ' A' ' 37' ' ' ILE . 12.9 mm -106.83 109.84 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -103.9 167.09 10.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.47 38.0 6.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.2 mt -114.72 167.93 10.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -105.51 159.78 15.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -80.53 165.85 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 39.28 51.62 2.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.1 m -147.81 121.57 9.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 111.141 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -68.45 140.38 55.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -135.91 147.95 48.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.9 134.53 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 91.1 m-85 -132.13 149.74 52.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.525 ' HD3' ' CZ2' ' A' ' 108' ' ' TRP . 34.0 ptt180 -154.12 132.2 11.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 106' ' ' THR . 20.6 t -106.73 148.24 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.93 143.21 30.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.37 141.56 28.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.555 ' CD2' HG23 ' A' ' 102' ' ' THR . 12.2 mt -120.09 132.98 55.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.8 p -133.63 173.03 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 tp -53.47 -34.99 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -61.41 -23.02 65.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.15 -125.91 3.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.555 HG23 ' CD2' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -103.17 148.59 25.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.119 -179.84 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -105.94 -173.05 23.56 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.491 ' CG ' ' C ' ' A' ' 20' ' ' ALA . 54.3 Cg_endo -69.68 163.24 38.94 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -112.55 166.88 10.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 94' ' ' VAL . 62.0 p -96.25 131.59 42.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -33.02 136.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.525 ' CZ2' ' HD3' ' A' ' 93' ' ' ARG . 59.1 m95 -55.61 104.7 0.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 109' ' ' LEU . 9.0 tp -100.4 119.14 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 91.2 p -87.93 148.25 24.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.2 128.55 15.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.057 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -100.16 115.37 29.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.7 p -62.26 170.4 2.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -81.36 126.38 31.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -41.81 -35.16 0.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.8 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.579 0.704 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 143.09 49.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.8 t -124.04 43.27 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -148.66 114.03 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.653 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -87.19 162.85 42.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.623 0.725 . . . . 0.0 111.093 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.653 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.8 Cg_endo -69.78 140.0 41.55 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.635 2.224 . . . . 0.0 112.407 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -104.26 -176.09 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 51.3 36.16 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.505 HD22 ' CB ' ' A' ' 106' ' ' THR . 54.9 tp -64.08 152.55 40.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.431 ' H ' HD12 ' A' ' 25' ' ' LEU . 66.2 p -165.35 155.08 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.416 ' CD1' ' HB2' ' A' ' 111' ' ' ALA . 15.5 mt -126.99 99.31 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -82.69 88.17 6.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.9 90.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.3 mmm-85 -61.44 -54.57 41.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -132.82 -177.27 4.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 p -74.43 -27.99 60.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -106.76 -6.03 18.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.4 m -124.61 143.82 50.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.645 HD11 HG23 ' A' ' 113' ' ' THR . 68.7 mt -143.41 117.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.4 tpp -82.69 136.75 34.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.671 ' CD1' HG21 ' A' ' 56' ' ' ILE . 20.0 mt -111.22 113.57 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -109.4 119.39 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.729 ' CH2' HD11 ' A' ' 56' ' ' ILE . 43.5 p90 -134.17 159.01 42.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 39' ' ' TRP . 1.4 mp0 -114.87 147.47 38.33 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 143.0 49.28 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 171.08 15.14 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.646 2.231 . . . . 0.0 112.391 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.93 154.01 10.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 111.062 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.33 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.15 -47.18 23.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.1 p -59.01 -46.76 87.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -59.73 99.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.4 -15.23 60.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -143.31 -150.94 5.38 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -110.48 145.36 37.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.58 ' HA ' HG22 ' A' ' 98' ' ' THR . 83.1 mt -91.19 131.61 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 68.1 p -101.46 -47.02 4.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.96 169.61 32.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.461 ' CE1' HG21 ' A' ' 51' ' ' ILE . 29.9 m-85 -118.83 127.7 53.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.978 0.418 . . . . 0.0 110.923 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.423 ' HE3' ' CD ' ' A' ' 69' ' ' GLU . 6.8 tttp -92.0 101.35 13.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.729 HD11 ' CH2' ' A' ' 39' ' ' TRP . 21.4 mt -99.81 115.23 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -115.0 144.09 44.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.584 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 49.2 p90 -140.06 154.76 47.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.652 ' HB3' HG22 ' A' ' 67' ' ' VAL . 34.2 ptt180 -147.16 179.49 7.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -90.65 148.77 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.56 -30.92 61.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.7 t -83.4 -55.81 4.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -68.49 -50.67 50.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.1 mttt 49.26 34.77 6.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.4 m -134.12 -36.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -90.39 111.03 22.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.652 HG22 ' HB3' ' A' ' 59' ' ' ARG . 12.0 t -118.39 138.95 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.438 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 25.4 m -108.4 139.91 42.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.423 ' CD ' ' HE3' ' A' ' 55' ' ' LYS . 30.0 tt0 -92.69 133.85 35.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.7 m -138.52 111.67 7.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.5 tp -98.63 146.23 26.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 54' ' ' TYR . 29.8 m -135.7 178.95 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.8 t -79.68 154.59 28.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.65 -61.11 7.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.434 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 t -61.56 -18.77 60.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.725 0.297 . . . . 0.0 111.122 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -72.96 111.17 7.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.2 mt -104.7 27.01 8.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.7 p -150.63 157.14 42.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -158.79 135.78 9.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 tp -105.34 111.43 24.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.4 mm -95.35 94.09 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -92.76 159.96 15.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.57 45.12 3.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 mt -116.94 -175.46 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -109.97 165.35 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 87' ' ' GLY . 14.9 ptt180 -90.04 163.54 14.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 86' ' ' ARG . . . 34.87 48.38 0.72 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.466 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 62.4 m -139.58 126.56 20.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 111.107 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -71.8 141.19 49.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -138.39 146.23 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.466 ' HB3' ' CE3' ' A' ' 108' ' ' TRP . 1.8 m-80 -107.86 134.56 50.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 33.7 m-85 -128.4 162.92 26.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.568 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 11.3 ptm180 -157.04 124.32 5.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.669 HG22 HG12 ' A' ' 56' ' ' ILE . 84.9 t -102.97 134.71 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.86 146.03 50.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.18 136.68 36.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 102' ' ' THR . 6.9 mt -113.38 145.29 41.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.58 HG22 ' HA ' ' A' ' 51' ' ' ILE . 75.6 p -140.62 173.4 11.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 100' ' ' ASN . 4.5 tp -51.3 -39.79 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.155 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.413 ' N ' HG23 ' A' ' 99' ' ' ILE . 3.6 m120 -59.54 -24.55 63.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.96 -123.66 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.415 ' HA ' HD23 ' A' ' 97' ' ' LEU . 63.2 p -101.54 169.84 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 111.165 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.15 -170.48 12.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.521 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 53.3 Cg_endo -69.8 168.73 20.75 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.307 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -125.76 158.05 35.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.505 ' CB ' HD22 ' A' ' 25' ' ' LEU . 80.9 p -83.23 128.83 34.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.4 OUTLIER -33.96 139.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.568 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 38.8 m95 -49.13 106.26 0.1 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.8 tp -102.13 116.84 33.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 53.7 p -84.06 144.5 29.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.416 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . . . -144.71 128.95 17.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -104.43 118.76 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.645 HG23 HD11 ' A' ' 35' ' ' ILE . 1.8 p -68.26 172.35 5.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -84.35 115.33 22.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -39.73 -34.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.9 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.803 -179.757 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.614 0.721 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HA ' ' ND2' ' A' ' 48' ' ' ASN . 53.2 Cg_endo -69.8 161.83 44.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.3 t -128.62 16.38 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.655 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -108.98 131.33 55.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.096 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.03 161.8 21.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.77 142.95 49.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.703 2.268 . . . . 0.0 112.38 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -108.36 177.77 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 62.57 29.3 16.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.0 tp -64.22 149.99 46.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -169.05 156.16 7.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.547 ' CD2' HG23 ' A' ' 37' ' ' ILE . 54.7 mt -125.51 95.89 4.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ARG . 12.4 tp10 -80.5 86.53 5.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.0 t -51.49 88.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.463 ' HG3' ' CD1' ' A' ' 80' ' ' LEU . 31.3 mmt180 -59.19 -49.06 79.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -143.29 178.52 7.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.8 p -74.08 -6.57 48.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -127.24 -0.74 6.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.1 t -134.51 150.18 50.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.6 mt -146.27 115.82 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.1 tpp -82.88 128.87 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.8 HD12 HG21 ' A' ' 56' ' ' ILE . 3.8 mt -103.02 118.1 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -110.75 116.76 31.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.598 ' CH2' HD11 ' A' ' 56' ' ' ILE . 43.8 p90 -129.97 179.64 5.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.465 ' O ' ' CB ' ' A' ' 22' ' ' PRO . 28.1 mt-30 -147.65 153.59 43.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 143.65 51.58 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.391 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 171.03 15.24 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.329 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.78 153.14 23.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -34.52 14.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.264 . . . . 0.0 112.321 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.36 -32.49 74.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.655 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 8.5 p -79.37 -29.25 42.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -57.5 145.99 31.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' A' ' 18' ' ' PRO . 40.1 m-20 -116.47 -18.97 10.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -151.77 -136.69 2.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.436 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -120.66 128.99 53.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.809 0.337 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.1 mt -76.82 121.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.3 p -101.08 -32.37 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.95 169.33 42.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.406 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 48.4 m-85 -117.33 155.94 28.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.409 . . . . 0.0 110.93 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -119.64 105.61 11.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.8 HG21 HD12 ' A' ' 37' ' ' ILE . 12.8 mt -97.07 124.49 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -127.45 150.18 49.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.502 ' CD1' ' N ' ' A' ' 58' ' ' TYR . 0.8 OUTLIER -149.88 161.82 41.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -151.27 176.27 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 61' ' ' ALA . 73.1 mttt -98.45 126.61 44.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' LYS . . . -35.54 -53.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.6 m -71.73 -46.09 59.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -104.34 73.39 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -68.6 -42.75 77.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -42.96 -44.76 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.83 109.27 7.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.8 t -125.43 143.48 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.405 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 15.4 m -108.4 135.44 49.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -98.4 122.66 41.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.2 m -127.46 101.24 6.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.501 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -88.4 126.66 35.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.501 ' N ' HD13 ' A' ' 71' ' ' LEU . 30.1 m -115.84 -176.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.7 t -86.9 162.71 17.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.92 -55.66 15.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.0 t -64.11 -11.84 33.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.721 0.296 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -82.84 115.32 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.1 mt -110.69 17.14 20.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.5 p -147.05 147.32 30.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -153.46 142.06 20.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.463 ' CD1' ' HG3' ' A' ' 30' ' ' ARG . 16.2 tp -107.07 125.02 50.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 30.4 mm -107.84 93.66 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.073 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -91.21 161.01 15.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.94 40.46 5.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.4 mt -106.49 -175.6 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.317 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -118.39 140.04 50.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -70.69 160.57 32.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.93 46.22 5.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 45.0 m -143.02 123.92 14.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.308 . . . . 0.0 111.182 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.77 132.71 49.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -128.1 143.18 51.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.469 ' O ' ' CB ' ' A' ' 58' ' ' TYR . 3.3 m120 -103.06 134.71 46.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -132.91 150.57 52.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.445 ' NH2' ' NE1' ' A' ' 108' ' ' TRP . 3.4 ptp180 -156.95 138.05 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.654 HG22 HG12 ' A' ' 56' ' ' ILE . 70.0 t -114.68 139.21 41.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.4 141.96 48.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.42 142.02 28.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.662 ' CD2' HG22 ' A' ' 102' ' ' THR . 5.3 mt -119.22 138.23 53.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 74.2 p -130.91 -179.34 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.1 tp -58.63 -33.95 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -68.36 -20.32 64.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 140.08 -137.4 8.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.662 HG22 ' CD2' ' A' ' 97' ' ' LEU . 45.3 p -89.99 167.57 12.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.152 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -122.38 -169.71 13.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.449 ' HG3' ' C ' ' A' ' 20' ' ' ALA . 54.1 Cg_endo -69.75 163.13 39.4 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.37 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.43 141.68 47.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 94' ' ' VAL . 68.3 p -70.58 138.19 50.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.59 138.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.445 ' NE1' ' NH2' ' A' ' 93' ' ' ARG . 54.3 m95 -54.0 106.11 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.3 tp -97.26 113.21 24.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 58.8 p -87.25 140.53 29.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.436 ' HB2' HD12 ' A' ' 27' ' ' LEU . . . -142.18 130.47 22.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -101.48 114.96 29.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.1 p -61.25 172.08 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.198 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 116' ' ' SER . 45.8 m-85 -85.0 123.98 31.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -38.62 -27.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 114' ' ' PHE . 8.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.658 0.742 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.72 67.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.357 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -122.33 35.59 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.694 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -124.32 128.27 48.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 104' ' ' PRO . . . -111.9 155.26 43.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.076 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 136.07 32.11 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.698 2.266 . . . . 0.0 112.329 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -104.41 178.97 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 61.77 27.6 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.0 tp -58.23 153.71 14.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -173.36 161.83 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.809 HD23 HG23 ' A' ' 37' ' ' ILE . 9.3 mt -134.42 103.39 5.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.81 92.02 8.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.76 94.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.499 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 19.8 mmm180 -71.53 -46.8 58.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 30' ' ' ARG . 6.2 m120 -138.66 -176.64 4.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.2 p -82.67 -18.78 39.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -114.6 2.84 14.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.6 p -142.72 144.9 32.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.1 mt -140.75 135.15 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.5 tpp -98.81 138.7 35.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.809 HG23 HD23 ' A' ' 27' ' ' LEU . 2.0 mt -111.23 133.88 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -125.9 115.74 20.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.844 ' CH2' HD11 ' A' ' 56' ' ' ILE . 34.5 p90 -134.04 168.28 19.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -127.91 152.4 77.22 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.578 0.704 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 143.21 49.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.732 2.288 . . . . 0.0 112.281 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.486 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 53.8 Cg_endo -69.77 166.74 26.57 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.629 2.219 . . . . 0.0 112.353 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.45 153.31 20.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -29.54 23.79 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.8 -39.61 73.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.694 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 3.5 p -69.99 -40.07 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -51.39 151.52 2.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -125.46 31.15 5.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.0 -171.69 28.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.529 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -83.47 136.06 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.8 mt -80.35 140.89 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.9 p -109.24 -27.22 9.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.72 169.63 36.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -114.07 157.9 21.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.976 0.417 . . . . 0.0 110.916 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -116.96 97.98 6.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.844 HD11 ' CH2' ' A' ' 39' ' ' TRP . 29.5 mt -92.99 102.19 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.163 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -112.07 127.14 55.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.521 ' CZ ' ' HB ' ' A' ' 68' ' ' THR . 10.6 p90 -125.46 161.32 27.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -164.05 150.79 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 90' ' ' TYR . 13.8 mtmt -75.38 144.91 42.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.7 79.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.0 m -74.51 -47.65 31.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -107.56 71.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -61.7 -50.89 70.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 t -40.7 -41.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -73.21 105.51 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 58' ' ' TYR . 2.1 t -128.53 149.48 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.521 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 21.8 m -120.63 133.31 55.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -93.2 130.68 38.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.1 m -132.93 103.11 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.602 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.5 OUTLIER -85.73 135.26 33.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.602 ' N ' HD13 ' A' ' 71' ' ' LEU . 28.7 m -122.83 -179.16 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.1 m -84.87 147.65 26.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.55 -40.27 69.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.9 t -86.48 15.36 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.308 . . . . 0.0 111.175 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -101.09 124.73 47.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.1 mt -112.87 8.67 18.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 75.9 p -139.1 161.68 36.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -167.68 133.38 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.5 tp -99.89 110.59 22.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 48.3 mm -91.57 100.05 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -94.01 166.72 12.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.47 51.63 3.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.442 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.3 mt -120.3 173.83 6.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.792 0.33 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -104.44 163.5 12.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 87' ' ' GLY . 16.5 ptt180 -89.27 162.16 16.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 86' ' ' ARG . . . 35.36 54.87 0.97 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.406 HG21 ' HD3' ' A' ' 60' ' ' LYS . 27.9 m -149.88 134.58 17.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.724 0.297 . . . . 0.0 111.104 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -70.28 141.97 52.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.588 ' CE1' ' HG3' ' A' ' 60' ' ' LYS . 29.8 m-85 -135.05 137.54 43.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -97.22 136.19 38.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 98.9 m-85 -134.18 141.37 47.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.447 ' NE ' ' CZ2' ' A' ' 108' ' ' TRP . 23.5 ptt180 -149.16 137.82 21.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.9 t -114.71 143.78 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -143.44 147.21 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.22 142.49 27.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.562 ' CD2' HG23 ' A' ' 102' ' ' THR . 9.1 mt -119.5 133.6 55.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 62.1 p -136.49 174.77 10.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 tt -59.23 -20.14 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -80.75 -9.29 59.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 127.2 -138.68 10.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.562 HG23 ' CD2' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -95.69 151.32 19.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 111.143 -179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -104.9 -169.93 24.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.479 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.7 157.86 59.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.96 138.03 51.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 107' ' ' ASP . 71.7 p -70.13 135.16 48.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.173 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.1 OUTLIER -33.97 141.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.447 ' CZ2' ' NE ' ' A' ' 93' ' ' ARG . 45.3 m95 -62.43 103.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.3 tp -94.45 116.71 29.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.4 m -88.74 143.99 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -140.97 132.42 26.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -99.01 113.47 25.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.44 166.14 4.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.147 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -78.45 127.6 32.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -46.46 -21.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.8 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.633 0.73 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 146.12 59.15 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 t -123.82 39.13 4.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 42' ' ' PRO . . . -124.08 110.41 14.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.619 ' HB2' ' HB2' ' A' ' 104' ' ' PRO . . . -94.85 158.47 35.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 111.075 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.524 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.3 Cg_endo -69.75 138.84 38.8 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -103.53 -176.29 3.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 47.9 41.44 14.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.464 HD22 ' HB ' ' A' ' 106' ' ' THR . 42.9 tp -67.46 157.24 34.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.405 ' N ' ' HG ' ' A' ' 25' ' ' LEU . 3.7 m -173.03 159.65 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.739 HD23 HG23 ' A' ' 37' ' ' ILE . 9.0 mt -128.54 104.98 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' ARG . 10.6 tp10 -85.67 81.79 8.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.6 t -52.91 88.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' GLU . 52.8 mmm-85 -57.59 -55.02 40.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -135.12 -177.62 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.6 p -75.03 -29.72 60.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -100.79 -15.3 17.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.8 p -120.99 139.67 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.669 HD12 HD13 ' A' ' 84' ' ' LEU . 90.8 mt -135.43 112.31 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.524 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 4.4 ttm -82.29 144.14 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.739 HG23 HD23 ' A' ' 27' ' ' LEU . 5.8 mt -116.49 133.1 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.524 ' CD2' ' HG2' ' A' ' 36' ' ' MET . 81.4 m-70 -125.54 121.47 33.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.809 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.789 ' CH2' HD11 ' A' ' 56' ' ' ILE . 39.2 p90 -138.65 156.11 47.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -112.21 148.45 39.12 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 144.48 54.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.452 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 54.0 Cg_endo -69.8 168.98 20.05 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.11 150.67 19.72 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 0.0 111.055 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -39.74 6.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.53 -45.63 91.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.8 p -64.28 -34.08 77.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -58.26 117.53 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -79.35 -30.54 42.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.7 178.16 28.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -72.25 127.9 34.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.631 ' HA ' HG22 ' A' ' 98' ' ' THR . 89.4 mt -71.22 149.63 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 39.5 p -117.82 -41.56 2.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.29 176.74 39.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.403 ' CD2' ' NE1' ' A' ' 39' ' ' TRP . 2.6 m-85 -124.57 140.33 53.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.977 0.418 . . . . 0.0 110.868 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -101.2 101.35 12.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.789 HD11 ' CH2' ' A' ' 39' ' ' TRP . 30.1 mt -98.1 108.36 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -109.78 136.79 48.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.453 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 51.1 p90 -137.46 138.51 39.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.517 ' NE ' ' CH2' ' A' ' 108' ' ' TRP . 11.3 ptp180 -126.95 -179.91 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -100.74 139.22 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.26 -50.79 71.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.9 t -47.84 -33.36 7.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -145.17 112.38 6.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.99 1.58 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -85.52 -41.08 15.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.9 98.95 2.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.414 ' HB ' ' HB3' ' A' ' 59' ' ' ARG . 1.9 p -129.05 134.73 63.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.8 m -114.59 144.77 42.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -99.6 147.78 25.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.0 m -146.03 117.62 8.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.8 tp -94.5 153.8 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.6 m -147.66 175.24 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 t -80.19 154.71 27.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.63 -54.7 35.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 t -66.2 -12.11 54.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.701 0.286 . . . . 0.0 111.09 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -81.19 110.73 16.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.4 mt -105.68 25.64 10.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.8 p -153.3 148.8 27.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 80' ' ' LEU . 5.9 tp-100 -149.26 139.85 22.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.482 ' N ' ' OE1' ' A' ' 79' ' ' GLN . 28.4 tp -108.52 109.35 20.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.4 mm -97.28 107.28 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -103.52 165.86 10.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.92 42.28 5.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.669 HD13 HD12 ' A' ' 35' ' ' ILE . 4.5 mt -116.52 169.8 9.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -101.98 149.25 24.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -76.08 162.99 27.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.4 51.56 7.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 34.1 m -147.15 130.58 16.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.757 0.313 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -74.11 131.17 41.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -125.65 148.6 48.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.48 139.72 44.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 95.1 m-85 -135.1 152.92 52.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.706 HH21 ' HB2' ' A' ' 105' ' ' ALA . 11.4 ptm180 -154.29 131.83 11.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.522 HG22 HG12 ' A' ' 56' ' ' ILE . 71.4 t -111.5 140.6 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -143.06 144.86 32.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -87.64 144.65 26.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.4 mt -122.91 134.63 54.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.631 HG22 ' HA ' ' A' ' 51' ' ' ILE . 63.3 p -133.44 173.21 11.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 16.9 tt -51.55 -37.08 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -57.42 -24.08 53.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.15 -101.81 0.28 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.446 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.2 p -120.87 176.97 5.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 111.139 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -134.83 -173.8 13.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.619 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 53.9 Cg_endo -69.79 152.95 69.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.371 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.706 ' HB2' HH21 ' A' ' 93' ' ' ARG . . . -114.8 147.98 39.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.476 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 67.8 p -74.66 133.55 42.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.38 138.6 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.517 ' CH2' ' NE ' ' A' ' 59' ' ' ARG . 38.7 m95 -51.36 104.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.1 tp -98.74 112.63 24.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.3 m -81.67 147.65 29.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.88 130.26 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.044 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -99.62 122.26 42.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.576 HG23 HD11 ' A' ' 35' ' ' ILE . 1.4 p -68.92 170.72 9.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -84.0 121.39 27.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -38.16 -37.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.808 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.2 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.615 0.721 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 141.77 46.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.4 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -116.03 58.8 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.484 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -148.47 124.16 10.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.69 158.0 33.81 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.582 0.706 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.78 132.4 23.22 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.727 2.285 . . . . 0.0 112.301 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -100.92 -177.26 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 51.41 36.59 16.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.485 HD12 ' H ' ' A' ' 26' ' ' SER . 61.8 tp -63.2 157.54 22.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.485 ' H ' HD12 ' A' ' 25' ' ' LEU . 5.3 p -167.92 152.95 6.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.64 HD23 HG23 ' A' ' 37' ' ' ILE . 19.7 mt -125.0 95.69 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -81.35 91.46 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.35 89.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -61.33 -52.11 66.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -134.34 177.95 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 93.8 p -75.61 -20.01 58.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' LEU . 16.9 ptmt -109.8 -14.79 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 p -123.81 143.92 50.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.573 HD11 HG23 ' A' ' 113' ' ' THR . 94.1 mt -135.23 117.47 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.547 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 5.0 ttm -84.28 135.06 34.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.684 HD12 HG21 ' A' ' 56' ' ' ILE . 10.4 mt -108.74 127.5 65.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.547 ' CD2' ' HG2' ' A' ' 36' ' ' MET . 86.8 m-70 -119.56 123.97 45.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.572 ' CH2' HD11 ' A' ' 56' ' ' ILE . 42.2 p90 -139.71 174.36 10.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -131.58 153.58 81.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.603 0.716 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.42 45.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.319 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 170.32 16.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.06 152.83 48.91 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.558 0.695 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -46.62 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.22 -50.47 20.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.043 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.459 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 35.0 p -64.14 -46.14 85.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -45.24 122.17 3.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -100.64 35.11 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 157.09 -138.05 5.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.512 ' O ' HG22 ' A' ' 98' ' ' THR . 15.5 tt0 -124.24 138.91 54.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.759 0.314 . . . . 0.0 110.915 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.557 HD13 ' OH ' ' A' ' 54' ' ' TYR . 76.7 mt -78.52 127.74 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.1 p -104.14 -38.6 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.49 ' C ' HD12 ' A' ' 97' ' ' LEU . . . -164.96 170.63 40.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.557 ' OH ' HD13 ' A' ' 51' ' ' ILE . 92.9 m-85 -122.24 142.1 50.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.42 . . . . 0.0 110.929 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.58 ' HE3' HD21 ' A' ' 97' ' ' LEU . 15.2 ttmt -105.82 100.98 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.684 HG21 HD12 ' A' ' 37' ' ' ILE . 65.3 mt -96.72 113.03 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -115.01 137.79 51.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.589 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 53.3 p90 -135.49 140.5 44.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.3 ptt85 -128.78 177.91 6.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -100.29 137.91 38.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.79 -45.94 64.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -86.18 -52.6 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -93.45 47.64 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -41.7 -40.87 2.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.5 t -46.71 -43.99 18.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -75.46 95.33 3.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.7 p -127.0 139.74 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.9 m -113.48 146.45 39.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -104.67 131.66 51.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.9 m -120.11 142.7 48.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.168 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.737 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.5 OUTLIER -122.54 135.41 54.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.737 ' N ' HD13 ' A' ' 71' ' ' LEU . 34.7 m -128.06 178.84 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 m -80.88 167.38 19.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.6 -57.45 7.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.3 t -60.68 -24.76 65.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.705 0.288 . . . . 0.0 111.131 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -70.48 114.24 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.7 mt -105.18 27.57 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.534 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 35.3 m -164.31 152.61 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.518 ' HB2' HG11 ' A' ' 72' ' ' VAL . 32.5 tp60 -143.83 160.82 40.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.9 tp -120.69 108.07 13.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.0 mm -95.55 99.96 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -97.94 165.17 12.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.38 49.39 3.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' LYS . 8.6 mt -120.3 -178.3 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.788 0.328 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -115.66 147.01 41.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -73.69 162.06 29.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 42.96 49.41 6.25 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.6 m -146.38 126.54 13.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 111.166 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -69.9 142.98 52.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -143.06 137.82 29.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.51 153.07 18.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 68.1 m-85 -148.68 151.22 34.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.584 ' HD2' ' CZ2' ' A' ' 108' ' ' TRP . 14.5 ptm180 -151.74 126.57 9.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.51 HG22 HG12 ' A' ' 56' ' ' ILE . 84.5 t -102.91 130.17 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.71 148.18 51.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.054 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.426 ' HA ' ' CD1' ' A' ' 54' ' ' TYR . . . -90.5 151.53 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.58 HD21 ' HE3' ' A' ' 55' ' ' LYS . 6.4 mt -128.76 140.29 51.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 50' ' ' GLN . 72.8 p -141.82 179.53 6.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.4 tt -60.29 -31.37 48.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -67.23 -18.97 65.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.33 -122.23 2.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.428 HG22 ' CD2' ' A' ' 97' ' ' LEU . 20.9 p -107.41 165.53 11.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 111.175 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -124.69 -173.9 13.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.484 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.7 Cg_endo -69.76 160.55 49.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.413 ' HB3' HH21 ' A' ' 93' ' ' ARG . . . -114.27 -179.54 3.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 107' ' ' ASP . 69.5 p -104.79 132.97 50.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.477 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.3 OUTLIER -32.0 130.63 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.584 ' CZ2' ' HD2' ' A' ' 93' ' ' ARG . 31.1 m95 -47.33 98.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.2 tp -96.23 116.14 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 81.5 p -88.11 151.74 22.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -148.34 130.37 15.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -98.25 119.56 37.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.573 HG23 HD11 ' A' ' 35' ' ' ILE . 1.1 p -65.07 168.07 7.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -74.16 112.19 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -45.46 -24.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 -179.811 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.628 0.728 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 149.09 66.51 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.647 2.232 . . . . 0.0 112.353 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 t -124.26 41.8 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.452 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -131.73 124.68 30.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.501 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.95 157.74 35.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.545 0.688 . . . . 0.0 111.099 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.73 140.81 43.72 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.373 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -108.23 -175.78 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 49.85 40.33 20.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -66.25 148.81 51.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -162.26 156.29 21.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 mt -128.88 102.06 6.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -88.01 79.19 8.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.9 102.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -70.02 -51.13 34.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -135.46 -175.09 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.563 ' O ' HG21 ' A' ' 113' ' ' THR . 48.8 p -79.18 -27.81 42.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -0.49 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.0 m -135.5 154.0 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -146.63 126.25 5.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.53 ' HE3' ' C ' ' A' ' 79' ' ' GLN . 5.7 tpt -89.79 138.75 31.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.505 ' CD1' HG21 ' A' ' 56' ' ' ILE . 9.7 mt -115.83 117.82 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.424 ' NE2' ' HG2' ' A' ' 36' ' ' MET . 91.3 m-70 -114.17 121.98 45.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.605 ' CH2' HD11 ' A' ' 56' ' ' ILE . 38.7 p90 -140.11 167.29 22.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -125.95 154.74 73.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.635 0.731 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 144.5 54.18 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 169.77 18.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.62 149.29 31.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 111.124 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -46.84 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.648 2.232 . . . . 0.0 112.295 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.25 -32.89 17.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' GLN . 36.1 p -81.15 -45.84 15.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' THR . 53.2 mt-30 -34.38 133.36 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -112.44 36.7 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.37 -163.84 26.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -92.75 130.12 38.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.744 0.306 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.8 mt -77.18 128.16 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.077 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.6 p -93.98 -42.69 8.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -167.26 175.64 42.33 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -116.59 138.54 51.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.943 0.401 . . . . 0.0 110.927 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.786 ' HE2' HD21 ' A' ' 97' ' ' LEU . 16.2 ttmm -103.24 92.45 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.738 HG12 HG22 ' A' ' 94' ' ' VAL . 53.8 mt -89.72 124.56 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -125.96 143.68 50.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.574 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 13.4 p90 -140.67 156.58 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -148.72 175.16 11.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -96.84 133.61 41.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.36 -47.65 9.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 t -71.71 -55.93 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -101.73 83.41 2.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -76.09 -43.5 43.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.9 t -39.0 -42.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -82.85 110.85 18.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -124.94 147.97 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.071 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.503 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 25.7 m -109.52 138.75 45.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -97.0 139.87 32.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.2 m -137.25 118.22 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.171 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.52 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -107.17 127.8 53.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.52 ' N ' HD13 ' A' ' 71' ' ' LEU . 21.0 m -124.19 178.51 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -74.61 156.64 36.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.13 -56.25 21.57 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.8 t -65.06 -16.5 63.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 111.154 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -73.8 111.89 9.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.8 mt -104.04 28.91 6.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.0 p -150.27 152.18 34.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.551 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -152.84 131.73 12.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.898 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.551 ' N ' ' CD ' ' A' ' 79' ' ' GLN . 41.1 tp -109.52 109.9 20.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.3 mm -92.02 104.05 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -96.94 161.17 13.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.64 41.33 4.18 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mt -113.82 174.98 5.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.799 0.333 . . . . 0.0 110.933 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -113.97 160.27 19.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -84.21 160.41 20.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 47.47 51.35 16.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.41 ' HB ' ' CE2' ' A' ' 90' ' ' TYR . 31.7 m -149.98 139.14 21.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 111.161 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -85.61 142.4 29.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.41 ' CE2' ' HB ' ' A' ' 88' ' ' THR . 95.9 m-85 -142.96 137.34 29.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.415 ' CB ' ' CE3' ' A' ' 108' ' ' TRP . 0.6 OUTLIER -96.07 148.73 22.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 50.9 m-85 -142.16 154.75 45.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -152.74 137.51 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.738 HG22 HG12 ' A' ' 56' ' ' ILE . 84.1 t -111.28 136.7 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 105' ' ' ALA . . . -135.81 150.23 49.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.15 149.0 22.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.786 HD21 ' HE2' ' A' ' 55' ' ' LYS . 12.6 mt -124.19 137.04 54.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 74.5 p -136.64 170.07 16.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.0 tt -53.47 -33.32 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -65.71 -20.35 66.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 128.81 -167.36 20.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.661 ' HA ' HD23 ' A' ' 97' ' ' LEU . 17.2 p -50.56 159.4 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.824 0.345 . . . . 0.0 111.142 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -126.87 -174.41 13.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.452 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.6 Cg_endo -69.72 155.87 64.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 95' ' ' ALA . . . -121.85 154.07 37.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.462 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 74.6 p -76.43 168.7 19.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -62.1 170.95 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.415 ' CE3' ' CB ' ' A' ' 91' ' ' ASN . 22.5 m95 -87.44 93.54 9.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.0 tp -86.12 116.78 24.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 62.8 p -85.68 131.74 34.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -132.55 128.95 38.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -102.0 117.04 33.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.563 HG21 ' O ' ' A' ' 32' ' ' SER . 2.7 p -59.31 169.96 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' GLU . 63.5 m-85 -77.93 115.94 18.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' PHE . 1.6 tt0 -34.17 -38.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 114' ' ' PHE . 3.0 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.65 0.738 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 130.18 18.94 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.393 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.7 p -107.98 51.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.583 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -164.05 131.5 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.788 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -104.97 166.52 11.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.573 0.701 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.788 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.77 133.44 25.56 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -101.19 179.6 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 58.45 36.57 25.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.2 tp -66.46 150.61 48.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.0 m -168.07 168.89 11.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.457 HD23 HG23 ' A' ' 37' ' ' ILE . 13.4 mt -138.87 108.69 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.7 tp10 -91.74 83.91 5.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.4 t -52.28 88.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.102 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' GLU . 23.2 mmm180 -58.39 -54.36 47.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -136.89 -176.04 4.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.607 ' O ' HG21 ' A' ' 113' ' ' THR . 59.9 p -74.73 -21.93 59.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -114.42 -6.59 12.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 p -125.35 133.46 52.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.521 HD12 HD13 ' A' ' 84' ' ' LEU . 92.2 mt -133.66 115.6 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.415 ' HG2' ' NE2' ' A' ' 38' ' ' HIS . 1.7 ttm -86.71 147.1 26.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.457 HG23 HD23 ' A' ' 27' ' ' LEU . 12.5 mt -114.46 144.47 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.415 ' NE2' ' HG2' ' A' ' 36' ' ' MET . 90.4 m-70 -135.05 114.92 12.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.889 ' CH2' HD11 ' A' ' 56' ' ' ILE . 38.8 p90 -133.57 171.56 13.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -129.39 154.49 80.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.536 0.684 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.31 50.55 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.377 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.97 17.67 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.372 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.16 149.57 24.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.54 0.686 . . . . 0.0 111.058 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -38.28 7.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.636 2.224 . . . . 0.0 112.39 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.75 -25.9 67.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.583 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 39.9 p -95.97 21.34 8.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -112.84 74.8 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.11 -17.92 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.51 177.1 28.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -81.64 154.04 26.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.7 mt -93.53 139.35 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 76.0 p -109.5 -33.67 6.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.86 166.25 36.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.473 ' O ' HD13 ' A' ' 71' ' ' LEU . 98.6 m-85 -111.89 142.38 44.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.958 0.409 . . . . 0.0 110.926 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -101.51 95.59 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.889 HD11 ' CH2' ' A' ' 39' ' ' TRP . 36.0 mt -88.57 113.89 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -120.95 134.45 55.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.584 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 18.3 p90 -136.65 147.27 46.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -136.25 178.58 6.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 61' ' ' ALA . 32.4 mtpt -96.67 125.99 41.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 60' ' ' LYS . . . -34.68 -47.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -80.81 -48.92 11.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -98.08 88.12 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -76.25 -48.61 19.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.481 ' O ' HG23 ' A' ' 67' ' ' VAL . 47.6 m -41.72 -47.79 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -70.95 103.36 2.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 65' ' ' SER . 2.2 t -124.25 148.07 28.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 95.1 m -114.65 133.53 55.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.52 132.72 40.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.9 m -143.0 106.7 4.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.174 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 54' ' ' TYR . 3.5 mm? -86.94 156.74 19.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 54' ' ' TYR . 31.6 m -138.46 171.92 14.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 p -68.38 151.24 47.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.52 -34.04 54.77 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -93.49 1.0 56.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.71 0.29 . . . . 0.0 111.083 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.424 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 5.0 tt0 -72.25 119.49 16.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.7 mt -108.93 9.5 26.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -161.96 154.3 19.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.404 ' HB3' HD13 ' A' ' 56' ' ' ILE . 19.9 tp60 -145.81 149.04 33.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' A' ' 79' ' ' GLN . 18.7 tp -106.19 114.1 28.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.9 mm -100.87 106.63 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -104.97 160.43 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.59 48.67 2.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.521 HD13 HD12 ' A' ' 35' ' ' ILE . 2.2 mt -126.31 164.21 21.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.82 153.76 18.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.407 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 13.6 ptt180 -75.06 161.41 29.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 43.51 58.76 3.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.51 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 31.2 m -152.12 119.38 5.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.763 0.316 . . . . 0.0 111.168 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.41 139.59 58.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 88' ' ' THR . 91.6 m-85 -138.8 147.07 42.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -105.03 145.75 30.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 79.6 m-85 -142.3 138.41 31.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.556 ' HD3' ' CZ2' ' A' ' 108' ' ' TRP . 28.5 ptt180 -143.69 130.18 20.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.592 HG22 HG12 ' A' ' 56' ' ' ILE . 90.4 t -103.52 139.77 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.34 144.76 44.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.44 145.75 24.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.46 ' CD1' HD11 ' A' ' 71' ' ' LEU . 11.8 mt -125.44 140.31 52.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.9 p -139.51 172.08 13.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.1 tp -54.27 -35.61 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -63.57 -21.67 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 140.9 -139.36 9.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.426 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.8 p -89.65 169.95 10.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 111.139 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -127.62 -170.56 12.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.553 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.72 158.54 56.67 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.321 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.8 134.16 55.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.054 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 94' ' ' VAL . 70.3 p -61.59 155.85 21.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -50.42 170.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.556 ' CZ2' ' HD3' ' A' ' 93' ' ' ARG . 23.1 m95 -87.37 93.86 9.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.0 tp -89.63 119.42 30.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.8 m -92.01 144.4 25.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.65 131.76 20.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -105.3 118.08 35.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.607 HG21 ' O ' ' A' ' 32' ' ' SER . 0.8 OUTLIER -56.76 172.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 116' ' ' SER . 48.0 m-85 -84.95 116.65 23.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 114' ' ' PHE . 31.0 mt-10 -36.5 -33.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' PHE . 16.0 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.67 0.747 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 151.24 69.54 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.383 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 p -126.12 42.16 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.475 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -135.58 133.28 38.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.662 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -115.68 162.81 23.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.703 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.662 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.2 Cg_endo -69.79 134.38 27.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.64 2.227 . . . . 0.0 112.343 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -97.67 -174.92 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 43.28 49.33 5.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.7 tp -70.78 152.08 44.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -163.23 161.28 24.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.667 HD23 HG23 ' A' ' 37' ' ' ILE . 19.8 mt -133.2 101.88 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -82.6 91.45 6.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.87 90.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.457 ' HG3' ' CD1' ' A' ' 80' ' ' LEU . 14.3 mmm180 -60.47 -54.26 47.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -136.04 -175.61 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.444 ' O ' HG21 ' A' ' 113' ' ' THR . 54.3 p -74.73 -29.36 61.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -103.28 -16.54 15.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 p -115.84 139.87 49.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.72 HD12 HD13 ' A' ' 84' ' ' LEU . 91.6 mt -136.75 107.49 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.5 ttm -79.12 139.93 37.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.849 ' CD1' HG21 ' A' ' 56' ' ' ILE . 15.2 mt -107.89 142.54 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -133.83 115.97 15.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.694 ' CH2' HD11 ' A' ' 56' ' ' ILE . 42.9 p90 -132.33 164.54 26.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -118.31 152.82 51.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.69 48.59 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.722 2.281 . . . . 0.0 112.319 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 171.06 15.1 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.384 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.83 147.91 29.84 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.556 0.693 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -30.11 22.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.19 -52.76 24.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.155 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.421 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 43.3 p -56.79 -37.99 71.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -39.06 142.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -125.71 35.65 4.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 137.1 176.19 14.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -70.46 135.69 48.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 0.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.2 mt -80.91 121.33 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.8 p -85.08 -44.73 12.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.494 ' C ' HD12 ' A' ' 97' ' ' LEU . . . -164.95 167.36 38.62 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.547 ' O ' HG22 ' A' ' 72' ' ' VAL . 39.0 m-85 -112.06 129.19 56.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.94 0.4 . . . . 0.0 110.908 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.508 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 2.6 tptp -92.42 126.2 37.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.849 HG21 ' CD1' ' A' ' 37' ' ' ILE . 19.0 mt -123.36 121.31 62.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -119.23 152.56 36.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.506 ' CZ ' ' HB ' ' A' ' 68' ' ' THR . 49.5 p90 -156.96 140.56 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.741 ' HB3' HG22 ' A' ' 67' ' ' VAL . 20.7 ptt180 -136.26 174.43 10.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.41 ' HG2' ' CE1' ' A' ' 90' ' ' TYR . 28.8 mtpt -87.96 140.91 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.48 99.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.8 t -74.1 -59.58 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -58.55 -46.77 86.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm 43.99 25.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -132.83 -33.09 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -93.46 110.78 22.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.741 HG22 ' HB3' ' A' ' 59' ' ' ARG . 2.7 t -120.89 153.41 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.506 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 30.1 m -123.44 136.82 54.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.27 144.62 25.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.2 m -138.47 132.05 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.7 OUTLIER -116.55 130.19 56.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.83 ' N ' HD13 ' A' ' 71' ' ' LEU . 33.3 m -123.93 169.18 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.5 m -69.29 154.55 41.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.76 -50.4 63.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -83.52 33.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.728 0.299 . . . . 0.0 111.119 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -117.82 108.41 15.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.4 mt -102.08 31.34 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.6 p -159.63 160.58 34.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -162.54 153.59 17.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.457 ' CD1' ' HG3' ' A' ' 30' ' ' ARG . 22.2 tp -120.84 110.79 16.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.7 mm -98.18 105.09 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -102.26 163.3 12.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.25 43.09 4.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.444 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.72 HD13 HD12 ' A' ' 35' ' ' ILE . 6.8 mt -120.29 166.09 13.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -94.33 148.23 22.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -74.31 163.22 28.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 39.48 55.48 2.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.6 m -144.87 140.79 28.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.306 . . . . 0.0 111.129 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -81.68 128.94 34.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.41 ' CE1' ' HG2' ' A' ' 60' ' ' LYS . 67.1 m-85 -131.17 146.45 52.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -104.83 145.01 30.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -139.66 153.57 47.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -156.02 133.19 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.522 HG11 ' CG ' ' A' ' 39' ' ' TRP . 64.9 t -103.2 145.54 12.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.508 ' HB3' ' HB3' ' A' ' 55' ' ' LYS . . . -140.92 152.7 45.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.7 151.36 22.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.494 HD12 ' C ' ' A' ' 53' ' ' GLY . 6.8 mt -129.95 138.99 51.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -137.4 170.68 15.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 100' ' ' ASN . 9.0 tt -50.24 -40.1 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.406 ' N ' HG23 ' A' ' 99' ' ' ILE . 45.5 m-80 -56.18 -25.43 46.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.26 -130.03 4.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.464 HG23 ' CD2' ' A' ' 97' ' ' LEU . 2.0 m -94.91 151.86 18.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.822 0.344 . . . . 0.0 111.144 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -109.67 -176.54 21.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.501 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.475 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.3 Cg_endo -69.81 161.28 46.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.692 2.262 . . . . 0.0 112.337 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.77 141.34 51.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.3 p -66.04 167.09 10.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.24 177.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -87.5 96.81 10.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.1 tp -92.9 114.8 27.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.6 t -85.65 157.62 20.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.93 128.69 10.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -97.99 117.08 31.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.444 HG21 ' O ' ' A' ' 32' ' ' SER . 2.9 p -66.76 167.84 10.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 115' ' ' GLU . 50.5 m-85 -82.52 113.67 20.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 114' ' ' PHE . 22.5 mt-10 -34.56 -38.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.809 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.595 0.712 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 137.26 34.92 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 t -117.5 35.97 4.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.431 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -131.65 135.74 47.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.667 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -119.87 162.78 31.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.712 . . . . 0.0 111.113 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.667 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.72 130.07 18.74 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.746 2.297 . . . . 0.0 112.309 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -99.11 -175.18 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 53.93 41.83 31.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.3 141.45 58.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 m -155.65 156.97 35.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.456 HD23 HG23 ' A' ' 37' ' ' ILE . 12.9 mt -131.98 102.01 5.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -89.98 76.65 7.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.9 t -48.62 99.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.474 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 14.1 mmm180 -68.06 -49.4 61.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.45 ' OD1' ' C ' ' A' ' 30' ' ' ARG . 4.3 m-20 -134.21 -175.44 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.506 ' O ' HG21 ' A' ' 113' ' ' THR . 86.3 p -78.67 -23.27 45.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.533 ' O ' HD12 ' A' ' 84' ' ' LEU . 5.3 ptpp? -106.79 -19.58 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 p -115.59 148.05 40.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.5 mt -139.32 126.09 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.506 ' HE3' ' C ' ' A' ' 79' ' ' GLN . 5.6 tpt -90.57 136.32 33.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.518 ' CD1' HG21 ' A' ' 56' ' ' ILE . 6.4 mt -112.0 128.6 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -124.61 119.13 28.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.431 ' CH2' HD11 ' A' ' 56' ' ' ILE . 36.1 p90 -137.85 166.38 24.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -119.86 150.2 50.19 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.579 0.704 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 144.94 55.33 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 171.42 14.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.41 149.42 20.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.565 0.697 . . . . 0.0 111.14 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -23.86 30.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.71 -36.08 29.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 47' ' ' GLN . 49.1 p -81.49 -35.61 30.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 46' ' ' THR . 19.9 mt-30 -28.98 -42.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 46' ' ' THR . 25.3 t-20 63.78 35.59 11.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 129.16 -179.64 16.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -83.72 139.33 32.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.609 HG21 ' CE1' ' A' ' 54' ' ' TYR . 46.2 mt -87.13 142.83 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.6 p -110.16 -41.98 4.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.455 ' C ' HD12 ' A' ' 97' ' ' LEU . . . -165.01 168.29 39.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.501 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.609 ' CE1' HG21 ' A' ' 51' ' ' ILE . 2.2 m-85 -118.52 137.27 53.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.93 0.395 . . . . 0.0 110.939 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -99.73 94.21 6.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.518 HG21 ' CD1' ' A' ' 37' ' ' ILE . 59.9 mt -87.44 120.45 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -118.59 148.78 42.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.578 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 33.0 p90 -150.5 148.63 28.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.658 ' HB3' HG22 ' A' ' 67' ' ' VAL . 27.3 ptt180 -141.24 -179.8 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -94.97 142.5 27.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.403 ' HB3' ' HB3' ' A' ' 89' ' ' GLU . . . -75.64 -12.01 60.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.05 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.2 t -97.53 -45.89 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -85.78 -44.77 12.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? 49.03 32.83 4.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 m -133.41 -34.15 1.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -91.38 111.87 23.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.658 HG22 ' HB3' ' A' ' 59' ' ' ARG . 9.0 t -120.73 145.7 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.51 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 35.3 m -119.79 136.12 54.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -91.11 141.26 29.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.6 m -134.97 114.85 12.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.493 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -101.44 129.43 47.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.493 ' N ' HD13 ' A' ' 71' ' ' LEU . 26.9 m -121.45 -177.9 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m -82.36 148.01 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.94 -42.04 78.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.4 t -88.81 29.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.32 . . . . 0.0 111.129 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -117.65 112.42 20.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.8 mt -103.5 31.34 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 99.5 p -156.77 150.6 24.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.506 ' C ' ' HE3' ' A' ' 36' ' ' MET . 37.7 tp60 -152.51 136.1 16.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.409 ' N ' ' HE3' ' A' ' 36' ' ' MET . 55.4 tp -111.62 111.05 21.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.0 mm -95.18 119.29 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -110.41 160.95 16.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.57 48.77 2.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 33' ' ' LYS . 4.4 mt -123.44 165.94 16.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -103.81 155.34 18.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.8 ptt85 -79.66 159.52 26.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.53 53.59 20.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.0 m -153.35 129.36 10.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.733 0.301 . . . . 0.0 111.145 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.403 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 3.3 tp10 -73.34 142.83 47.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -142.45 136.43 29.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.42 146.63 25.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 52.8 m-85 -140.75 148.94 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -143.92 141.46 30.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.637 HG12 ' HG3' ' A' ' 22' ' ' PRO . 90.6 t -115.03 127.48 72.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.4 ' HB2' ' HB2' ' A' ' 105' ' ' ALA . . . -124.79 149.8 46.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.7 150.23 22.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 102' ' ' THR . 6.3 mt -130.11 137.21 50.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.1 p -136.6 171.6 14.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 100' ' ' ASN . 9.7 tt -49.19 -41.61 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.43 ' N ' HG23 ' A' ' 99' ' ' ILE . 48.0 m-20 -58.89 -25.66 63.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.8 -145.66 17.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.548 ' HA ' HD23 ' A' ' 97' ' ' LEU . 15.2 p -78.59 160.22 27.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 0.0 111.153 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -125.18 -166.92 12.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.431 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 54.0 Cg_endo -69.7 162.29 42.61 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.379 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.4 ' HB2' ' HB2' ' A' ' 95' ' ' ALA . . . -129.5 133.2 47.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 65.6 p -57.06 165.78 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -62.61 172.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -86.64 96.16 10.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 tp -87.92 113.75 23.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 72.9 m -80.35 145.21 32.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.404 ' HB2' HD13 ' A' ' 27' ' ' LEU . . . -143.13 129.98 20.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -104.5 116.75 32.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.506 HG21 ' O ' ' A' ' 32' ' ' SER . 5.6 p -62.91 171.11 2.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.145 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -87.84 121.9 30.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -40.08 -35.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.612 0.72 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.11 56.26 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -123.08 41.34 3.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.42 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -142.19 129.57 21.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.512 ' HB2' ' HB2' ' A' ' 104' ' ' PRO . . . -105.29 157.46 34.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.702 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.9 Cg_endo -69.84 133.32 25.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.64 2.227 . . . . 0.0 112.36 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -102.06 -177.2 3.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 54.34 42.74 31.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.64 HD23 HD22 ' A' ' 109' ' ' LEU . 38.5 tp -72.14 158.42 35.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.418 ' N ' ' HG ' ' A' ' 25' ' ' LEU . 3.6 m -173.73 156.66 2.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.618 HD23 HG23 ' A' ' 37' ' ' ILE . 36.5 mt -130.16 96.35 4.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.6 93.33 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.01 93.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 30' ' ' ARG . 1.8 mmp_? -67.18 -46.71 73.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -139.73 -177.45 4.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.413 ' O ' HG21 ' A' ' 113' ' ' THR . 75.1 p -75.59 -27.52 58.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -112.37 18.39 18.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 p -148.32 139.18 23.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.478 HD11 HG23 ' A' ' 113' ' ' THR . 96.7 mt -142.26 116.41 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.8 tpp -87.29 131.81 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.763 ' CD1' HG21 ' A' ' 56' ' ' ILE . 6.4 mt -102.61 132.1 49.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -124.69 115.43 20.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.78 ' CH2' HD11 ' A' ' 56' ' ' ILE . 42.6 p90 -130.17 164.55 24.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -124.66 154.16 70.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.6 0.714 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 144.45 53.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.643 2.229 . . . . 0.0 112.317 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.412 ' HG2' ' NE2' ' A' ' 47' ' ' GLN . 53.5 Cg_endo -69.81 169.36 19.16 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.84 152.97 45.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -43.46 2.61 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.299 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.51 -53.05 33.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.42 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 10.1 p -63.13 -52.1 63.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.412 ' NE2' ' HG2' ' A' ' 42' ' ' PRO . 53.7 mt-30 -50.77 116.97 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.89 51.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.5 -168.68 41.2 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -110.06 132.04 54.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.46 HD13 ' OH ' ' A' ' 54' ' ' TYR . 96.7 mt -86.65 139.37 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.4 p -118.94 -33.45 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -169.65 175.84 43.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.46 ' OH ' HD13 ' A' ' 51' ' ' ILE . 62.2 m-85 -128.28 140.8 51.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.899 0.38 . . . . 0.0 110.974 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.91 ' HD2' HD21 ' A' ' 97' ' ' LEU . 18.0 mttp -103.63 116.12 31.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.78 HD11 ' CH2' ' A' ' 39' ' ' TRP . 30.8 mt -109.44 99.15 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.44 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 10.0 mtm105 -100.99 140.1 35.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.491 ' O ' HG13 ' A' ' 67' ' ' VAL . 32.2 p90 -142.05 166.32 25.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -150.57 178.66 8.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -101.47 121.81 42.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.63 -39.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.3 m -62.4 -57.87 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 8.5 ptm180 -118.11 98.56 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -69.13 -4.12 16.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -77.29 -36.22 54.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -80.51 102.22 9.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 58' ' ' TYR . 2.4 t -125.0 146.48 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.3 m -124.61 146.19 49.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -102.55 146.81 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 93.5 m -140.07 111.71 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.708 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -96.05 133.79 39.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.708 ' N ' HD13 ' A' ' 71' ' ' LEU . 27.7 m -123.79 178.02 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.5 m -81.81 149.62 28.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.65 -36.45 59.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.7 t -94.67 23.48 5.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.752 0.31 . . . . 0.0 111.143 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -111.8 108.9 18.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.6 mt -104.04 31.04 4.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.4 p -159.42 151.48 20.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -159.03 135.41 9.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.2 tp -102.83 118.96 37.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.6 mm -104.21 98.35 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -96.38 166.9 11.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.47 37.92 7.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mt -109.07 176.14 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 0.0 110.92 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -104.75 154.54 19.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 87' ' ' GLY . 11.4 ptt180 -81.93 168.02 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' ARG . . . 35.41 52.17 1.0 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.1 m -148.54 135.68 20.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 0.0 111.147 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.39 143.6 40.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.532 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . 44.0 m-85 -135.81 138.79 42.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.511 ' HB3' ' CE3' ' A' ' 108' ' ' TRP . 3.2 m120 -103.41 132.12 49.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 90' ' ' TYR . 69.7 m-85 -132.57 152.83 51.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.57 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 14.0 ptm180 -154.93 128.01 8.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.695 HG22 HG12 ' A' ' 56' ' ' ILE . 49.0 t -102.93 139.15 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.08 137.54 41.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.04 150.82 25.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.91 HD21 ' HD2' ' A' ' 55' ' ' LYS . 8.1 mt -127.64 144.38 51.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.9 p -141.51 174.04 10.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 tp -59.09 -30.5 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -66.88 -16.6 64.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.95 -139.01 10.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.461 ' HA ' HD23 ' A' ' 97' ' ' LEU . 24.0 p -86.53 163.11 17.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 111.149 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -126.81 -174.99 13.96 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.512 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.76 166.5 27.39 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.29 165.49 18.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.08 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.481 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 70.9 p -89.2 133.8 34.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.1 OUTLIER -36.91 144.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.57 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 42.6 m95 -55.63 103.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.64 HD22 HD23 ' A' ' 25' ' ' LEU . 9.6 tp -95.58 113.18 24.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 56.8 m -87.08 143.16 27.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.3 130.73 21.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -100.37 120.75 40.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.478 HG23 HD11 ' A' ' 35' ' ' ILE . 1.4 p -70.72 169.62 14.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -84.77 119.06 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -39.64 -34.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.833 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.8 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.629 0.728 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 153.34 68.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.647 2.232 . . . . 0.0 112.318 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 t -127.29 35.85 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -114.28 124.93 53.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.6 149.79 37.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.7 Cg_endo -69.7 135.51 30.79 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.333 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -102.49 175.65 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 58.77 43.22 18.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.3 tp -73.14 146.34 45.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -164.26 162.32 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.625 HD23 HG23 ' A' ' 37' ' ' ILE . 8.0 mt -134.96 103.61 5.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -84.48 93.06 8.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.473 HG12 ' CE2' ' A' ' 114' ' ' PHE . 93.2 t -58.38 94.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -70.21 -42.15 72.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -146.03 161.75 39.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.3 m -62.64 -14.34 42.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.54 -11.48 11.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 p -126.44 138.67 53.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.516 HD12 HD13 ' A' ' 84' ' ' LEU . 87.9 mt -134.13 114.67 19.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.9 tpp -83.59 142.29 30.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.625 HG23 HD23 ' A' ' 27' ' ' LEU . 16.2 mt -111.85 137.21 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -129.22 117.52 20.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.789 ' CH2' HD11 ' A' ' 56' ' ' ILE . 41.3 p90 -134.97 167.27 21.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -125.92 151.45 71.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 143.73 51.95 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.256 . . . . 0.0 112.398 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 171.06 15.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.54 152.24 26.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.576 0.703 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -40.05 5.76 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.43 -48.01 77.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 47' ' ' GLN . 70.4 p -61.98 -55.23 31.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 46' ' ' THR . 61.1 mt-30 -35.3 134.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -109.96 34.96 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 152.27 -139.53 7.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -120.64 134.24 55.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.446 ' HA ' HG22 ' A' ' 98' ' ' THR . 75.2 mt -78.08 137.23 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.9 p -109.03 -29.41 8.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.68 161.21 29.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.469 ' O ' HD23 ' A' ' 71' ' ' LEU . 96.2 m-85 -109.44 138.48 45.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.953 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.451 ' HB2' HD11 ' A' ' 97' ' ' LEU . 16.7 tttm -96.0 99.41 11.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.789 HD11 ' CH2' ' A' ' 39' ' ' TRP . 74.0 mt -93.12 113.66 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -118.72 133.94 55.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.548 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 32.2 p90 -132.66 146.52 51.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.46 ' NH2' ' CD1' ' A' ' 108' ' ' TRP . 24.2 ptt180 -135.93 174.29 10.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -93.23 136.23 33.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.38 -47.96 80.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 m -69.44 -44.47 71.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -118.6 68.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -45.21 -42.14 8.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t -44.54 -35.86 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -77.5 97.41 5.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.5 p -129.08 141.38 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.515 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 88.3 m -118.68 142.89 47.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.493 ' OE2' ' N ' ' A' ' 70' ' ' THR . 3.4 tm-20 -90.04 142.47 27.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.558 HG21 HD11 ' A' ' 81' ' ' ILE . 47.2 m -146.6 107.95 4.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.629 HD21 ' CD1' ' A' ' 97' ' ' LEU . 10.3 mt -96.32 163.27 13.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.1 m -146.15 -175.61 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 m -80.57 151.95 28.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.69 -29.37 74.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.1 t -91.85 -6.0 52.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.736 0.303 . . . . 0.0 111.147 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 78' ' ' SER . 4.0 tt0 -88.84 116.07 26.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.6 mt -101.75 21.61 14.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.407 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 92.5 p -149.26 161.58 41.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -160.96 125.05 3.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.7 tp -98.29 110.82 23.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.558 HD11 HG21 ' A' ' 70' ' ' THR . 15.9 mm -96.01 108.9 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -103.76 158.88 16.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.33 48.49 1.85 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.516 HD13 HD12 ' A' ' 35' ' ' ILE . 6.6 mt -120.74 171.98 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.31 147.86 30.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -70.96 159.66 34.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 45.4 55.59 6.74 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.2 m -152.0 118.7 5.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.791 0.329 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.09 135.04 53.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -130.7 148.98 52.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.466 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 3.0 m120 -112.11 150.35 30.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.548 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 16.9 m-85 -144.07 150.75 38.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.51 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 10.1 ptm180 -141.74 129.06 21.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 106' ' ' THR . 47.2 t -109.57 127.62 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.49 147.3 52.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.51 141.23 28.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.629 ' CD1' HD21 ' A' ' 71' ' ' LEU . 8.4 mt -122.28 134.61 54.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.446 HG22 ' HA ' ' A' ' 51' ' ' ILE . 50.4 p -131.2 174.56 9.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.9 tp -53.46 -35.23 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -58.8 -22.53 58.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 141.63 -103.49 0.34 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.414 ' HA ' HD23 ' A' ' 97' ' ' LEU . 41.2 p -123.21 170.97 9.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 111.141 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.68 -172.76 13.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.442 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.77 163.83 36.81 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.471 ' HB1' ' HE ' ' A' ' 93' ' ' ARG . . . -123.17 149.93 43.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.475 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 80.5 p -78.36 152.91 32.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -46.27 168.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.51 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 25.4 m95 -82.33 97.73 8.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 109' ' ' LEU . 10.3 tp -87.48 117.5 26.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 p -98.04 130.38 44.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -128.16 139.02 52.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.078 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -101.6 126.56 48.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.423 HG23 HD11 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -73.66 163.73 27.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.473 ' CE2' HG12 ' A' ' 29' ' ' VAL . 49.2 m-85 -75.26 122.97 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -47.19 -22.07 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.81 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -170.6 173.9 5.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 p -172.82 174.56 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.32 126.43 1.07 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -168.99 161.64 10.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 t -164.58 157.12 16.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.64 144.15 4.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -165.04 120.38 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.2 t -137.36 131.01 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.49 175.14 11.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.535 HG12 ' H ' ' A' ' 13' ' ' THR . 54.5 t -145.81 145.0 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -128.11 47.7 2.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.535 ' H ' HG12 ' A' ' 11' ' ' VAL . 53.6 p -110.06 140.48 44.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -120.9 150.96 40.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -171.36 170.87 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -75.29 -50.26 16.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.434 HG22 ' H ' ' A' ' 17' ' ' VAL . 1.2 m -67.53 147.02 98.81 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.632 0.73 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 143.16 49.87 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.3 t -117.62 33.48 5.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -133.15 137.25 46.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.843 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -114.53 168.73 7.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 0.0 111.098 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.843 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.75 145.18 56.45 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.484 ' NE2' ' HA ' ' A' ' 42' ' ' PRO . 1.9 mp0 -109.35 -179.7 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 53.91 36.9 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.2 tp -65.27 134.9 54.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.523 ' O ' HD23 ' A' ' 27' ' ' LEU . 1.5 p -148.0 156.59 42.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 26' ' ' SER . 29.2 mt -130.46 96.31 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 28' ' ' GLU . 5.0 tm-20 -84.8 89.84 7.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -53.67 111.23 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.444 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 11.4 mmm180 -81.13 -48.78 11.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -141.33 176.04 9.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.9 p -74.66 -3.21 29.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -123.79 -15.62 6.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.469 ' OG ' HD11 ' A' ' 80' ' ' LEU . 29.5 t -125.9 158.66 34.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.6 mt -148.31 125.27 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.444 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 5.2 tpt -84.18 135.01 34.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.592 HD12 HD13 ' A' ' 56' ' ' ILE . 3.5 mt -111.56 123.91 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -121.39 115.57 23.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.598 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 36.9 p90 -133.84 154.51 50.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.426 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -110.58 149.94 40.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 110.965 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 146.72 61.43 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.484 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 54.0 Cg_endo -69.81 168.5 21.44 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.324 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.59 153.03 22.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.627 0.727 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -43.7 2.51 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.359 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.29 -43.54 67.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.07 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.7 p -71.33 -41.05 70.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -45.56 103.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -86.79 37.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 141.26 165.61 10.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -66.2 138.76 57.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.471 ' HA ' HG22 ' A' ' 98' ' ' THR . 59.9 mt -81.03 137.67 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 37.2 p -104.72 -26.63 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.21 172.84 39.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -119.87 150.34 40.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.917 0.389 . . . . 0.0 110.953 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -110.46 100.85 9.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.729 HG12 HG22 ' A' ' 94' ' ' VAL . 58.6 mt -91.23 110.64 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -117.53 145.34 44.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.551 ' CE1' ' HB ' ' A' ' 68' ' ' THR . 1.5 p90 -146.75 156.6 43.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -139.57 177.6 7.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.436 ' HG2' ' CE1' ' A' ' 90' ' ' TYR . 64.2 mttt -100.08 129.98 46.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.18 -23.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.1 m -94.15 -28.53 15.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -130.11 89.28 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -71.15 -35.65 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 t -56.9 -35.14 68.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -81.1 108.73 15.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.0 t -125.09 151.0 30.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.551 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 71.8 m -113.66 132.32 55.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -92.76 136.0 33.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.5 m -145.28 116.56 7.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.438 ' CD1' ' CD1' ' A' ' 97' ' ' LEU . 46.2 tp -109.6 127.62 54.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.409 HG11 ' HB2' ' A' ' 79' ' ' GLN . 25.6 m -112.89 -176.66 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m -77.97 163.37 26.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.3 -46.08 74.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 t -82.98 18.71 1.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.724 0.297 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -102.17 116.5 32.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.3 mt -110.99 20.33 17.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.0 p -156.79 138.71 14.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 56' ' ' ILE . 25.5 tp60 -143.47 139.22 29.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.469 HD11 ' OG ' ' A' ' 34' ' ' SER . 47.6 tp -105.17 115.25 29.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.6 mm -99.73 104.9 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -100.95 161.17 13.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.61 46.24 1.83 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.7 mt -120.39 173.31 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.39 153.33 28.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -72.64 160.72 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.46 55.82 5.82 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 87.7 m -151.93 133.22 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 0.0 111.145 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -81.72 143.5 31.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.436 ' CE1' ' HG2' ' A' ' 60' ' ' LYS . 66.2 m-85 -142.94 135.36 27.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -97.61 130.81 44.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -123.27 152.88 40.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.533 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 15.3 ptt85 -152.43 141.53 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.729 HG22 HG12 ' A' ' 56' ' ' ILE . 59.6 t -118.03 139.63 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.49 146.75 46.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.24 147.25 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.596 ' CD2' HG22 ' A' ' 102' ' ' THR . 5.0 mt -129.61 143.45 50.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.471 HG22 ' HA ' ' A' ' 51' ' ' ILE . 70.2 p -139.02 178.8 6.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 19.0 tt -61.4 -24.87 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -72.01 -15.65 62.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.76 -120.57 1.96 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.596 HG22 ' CD2' ' A' ' 97' ' ' LEU . 16.8 p -113.61 173.0 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 111.149 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -128.16 -175.95 14.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.416 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.5 Cg_endo -69.79 164.25 35.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.234 . . . . 0.0 112.364 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.533 ' HB1' ' HD2' ' A' ' 93' ' ' ARG . . . -117.06 148.15 41.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.084 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 94' ' ' VAL . 60.4 p -76.28 152.38 36.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -44.14 168.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -86.07 97.8 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.5 tp -92.93 118.83 31.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 97.0 p -92.01 135.08 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -130.97 129.18 41.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -99.26 117.91 34.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.2 p -63.95 170.78 3.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -85.48 126.04 33.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -48.7 -24.26 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.0 t -155.44 176.52 12.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.41 89.06 3.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.418 ' HA ' HD22 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -127.64 115.75 19.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -94.27 126.51 39.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -101.44 149.14 24.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.5 t -124.23 142.55 51.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -124.95 157.6 35.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.3 m -114.38 144.22 31.33 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.61 0.719 . . . . 0.0 111.145 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -171.63 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -129.77 172.38 11.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.1 m -85.27 150.01 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.7 t -136.99 128.08 27.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -101.33 146.12 17.18 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -174.94 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.258 . . . . 0.0 112.326 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 53.1 p -174.94 167.3 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 49.1 m -137.05 176.4 8.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.518 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -138.52 141.92 39.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 0.0 110.863 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -80.2 -62.5 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.61 128.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -145.08 155.58 43.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.912 0.387 . . . . 0.0 110.818 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -64.35 178.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.1 165.03 15.03 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -54.44 168.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 81.4 t -114.04 148.07 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.87 170.12 11.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -156.53 141.76 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -126.63 89.25 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.7 p -137.78 143.46 41.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 mt -114.24 107.47 15.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.0 m -168.92 156.07 7.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' VAL . 74.8 m-20 -37.63 -65.02 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' ASP . 2.4 m -35.24 145.97 0.19 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.613 0.72 . . . . 0.0 111.155 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.41 57.05 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 2.264 . . . . 0.0 112.323 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -125.62 24.69 7.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -115.34 126.54 54.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.8 154.45 38.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.426 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.8 Cg_endo -69.76 145.58 57.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.652 2.234 . . . . 0.0 112.364 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -112.12 -176.35 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 53.39 37.88 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.7 tp -70.56 151.6 44.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.502 ' O ' HD23 ' A' ' 27' ' ' LEU . 3.4 m -169.66 162.45 9.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 26' ' ' SER . 15.4 mt -132.98 103.6 6.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -88.39 87.69 7.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.8 92.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -64.93 -51.3 62.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -130.73 -175.82 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.2 p -79.57 -21.14 45.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.13 -2.09 14.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.8 t -126.73 157.15 39.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.459 HD12 ' HZ ' ' A' ' 92' ' ' PHE . 74.8 mt -152.3 120.72 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.1 tpp -89.05 133.17 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.719 ' CD1' HG21 ' A' ' 56' ' ' ILE . 14.5 mt -105.77 134.16 48.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -125.5 114.89 19.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.582 ' CH2' HD11 ' A' ' 56' ' ' ILE . 39.6 p90 -131.66 165.71 23.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 -126.51 151.88 73.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 143.45 50.83 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.407 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 53.8 Cg_endo -69.74 171.02 15.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.46 152.21 56.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 111.043 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -38.6 7.58 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.52 -34.77 74.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.424 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 82.8 p -80.55 -47.03 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' THR . 36.6 mt-30 -38.52 146.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -121.26 37.91 4.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.83 -163.34 26.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.532 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -93.68 131.92 38.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.729 0.3 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.626 HD13 ' OH ' ' A' ' 54' ' ' TYR . 61.6 mt -75.75 123.58 32.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.7 p -94.39 -43.46 8.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.83 -179.56 32.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.626 ' OH ' HD13 ' A' ' 51' ' ' ILE . 49.9 m-85 -131.84 124.5 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.965 0.412 . . . . 0.0 110.882 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -88.25 103.23 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.719 HG21 ' CD1' ' A' ' 37' ' ' ILE . 74.8 mt -103.22 112.7 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -114.11 156.16 24.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.433 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 40.4 p90 -157.3 144.54 18.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.481 ' HB3' HG22 ' A' ' 67' ' ' VAL . 20.9 ptt180 -132.87 167.48 20.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -85.48 126.7 34.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.2 -34.86 2.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.6 p -83.96 -45.18 13.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.0 tpt85 -110.58 92.62 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -71.54 -50.5 30.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.4 t -42.43 -31.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -83.21 104.61 13.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.481 HG22 ' HB3' ' A' ' 59' ' ' ARG . 5.7 t -128.66 145.41 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.8 m -120.72 132.32 55.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -95.68 137.1 35.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 78.9 m -130.57 125.1 33.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -104.54 130.01 52.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.592 ' N ' HD13 ' A' ' 71' ' ' LEU . 33.5 m -124.86 179.31 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.9 t -85.42 157.23 20.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.89 -58.63 12.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -61.91 -14.24 32.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 0.0 111.145 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.489 ' NE2' ' OE1' ' A' ' 79' ' ' GLN . 28.9 tt0 -77.99 113.69 16.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.0 mt -104.88 13.11 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.4 p -141.02 157.69 44.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.489 ' OE1' ' NE2' ' A' ' 76' ' ' GLN . 34.9 tp60 -163.32 129.12 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.8 tp -98.26 118.06 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 50.2 mm -99.7 104.85 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -99.2 168.01 10.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.43 41.78 4.72 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 mt -119.49 161.1 21.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.1 142.11 30.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -66.61 158.76 29.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.78 56.35 11.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.536 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.405 ' HB ' ' CE2' ' A' ' 90' ' ' TYR . 80.5 m -156.29 137.6 13.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.712 0.292 . . . . 0.0 111.132 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -81.09 143.38 32.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.405 ' CE2' ' HB ' ' A' ' 88' ' ' THR . 96.2 m-85 -140.9 136.41 32.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -97.86 142.33 29.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.459 ' HZ ' HD12 ' A' ' 35' ' ' ILE . 77.6 m-85 -134.97 157.65 46.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.488 ' CD ' ' CH2' ' A' ' 108' ' ' TRP . 8.4 ptm180 -155.55 127.71 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.583 HG22 HG12 ' A' ' 56' ' ' ILE . 86.7 t -104.36 134.13 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.78 137.57 41.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.54 ' HA ' ' CD1' ' A' ' 54' ' ' TYR . . . -83.1 149.73 26.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.581 HD23 ' HA ' ' A' ' 102' ' ' THR . 11.8 mt -121.71 146.14 47.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -141.86 169.85 16.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.4 tt -58.9 -22.21 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -76.92 -10.05 59.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.97 -122.62 3.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.581 ' HA ' HD23 ' A' ' 97' ' ' LEU . 30.9 p -109.56 161.02 15.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.83 0.348 . . . . 0.0 111.117 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -115.45 -174.38 17.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 152.75 69.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.459 ' HB1' ' HE ' ' A' ' 93' ' ' ARG . . . -116.09 137.27 52.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.426 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 69.5 p -62.44 157.67 19.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -51.26 169.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.488 ' CH2' ' CD ' ' A' ' 93' ' ' ARG . 31.6 m95 -79.07 92.4 5.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.416 HD23 ' HG ' ' A' ' 27' ' ' LEU . 11.2 tp -86.36 113.41 22.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.7 p -92.76 143.42 26.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -139.32 136.6 35.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -98.56 118.26 34.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.415 HG23 HD11 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -71.58 157.36 38.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -67.25 122.9 18.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -49.07 -25.2 1.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 67.5 m -139.7 165.17 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -58.62 -42.29 87.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 20.5 tp -59.75 111.2 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.23 146.9 28.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -92.19 150.6 20.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 94.4 m -84.11 114.77 22.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -140.54 175.5 9.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.673 HG13 ' HD2' ' A' ' 124' ' ' PRO . 88.3 t -128.86 138.73 33.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.558 0.694 . . . . 0.0 111.184 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.673 ' HD2' HG13 ' A' ' 123' ' ' VAL . 53.6 Cg_endo -69.73 171.52 14.29 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -153.07 109.79 3.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 32.8 m -82.95 175.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.2 t -167.88 164.37 14.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -138.12 71.16 0.46 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 123.35 10.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.307 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.4 t -43.51 127.02 4.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 72.6 m -51.73 -53.62 37.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -145.85 177.87 8.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.87 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -87.2 177.41 7.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.27 -144.64 7.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -141.83 176.99 8.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -55.82 176.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.78 -117.85 2.35 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.56 175.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.457 ' O ' HG12 ' A' ' 9' ' ' VAL . 6.0 t -119.17 3.0 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.9 117.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.597 HG12 ' HG2' ' A' ' 12' ' ' ARG . 58.7 t -149.21 107.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.597 ' HG2' HG12 ' A' ' 11' ' ' VAL . 31.6 ptt180 38.04 39.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.492 ' O ' HG22 ' A' ' 13' ' ' THR . 6.8 m -85.94 32.56 0.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.2 mt -68.89 -66.3 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.5 m -166.43 121.52 1.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.99 -52.6 62.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -38.0 154.25 0.12 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.578 0.704 . . . . 0.0 111.163 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.42 ' HA ' ' ND2' ' A' ' 48' ' ' ASN . 53.8 Cg_endo -69.75 164.28 35.11 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.744 2.296 . . . . 0.0 112.33 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 t -131.22 20.46 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.543 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -109.46 130.22 55.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.626 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.72 161.69 22.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.557 0.694 . . . . 0.0 111.083 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.626 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.78 133.11 24.75 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.514 ' NE2' ' HA ' ' A' ' 42' ' ' PRO . 2.1 mp0 -99.49 175.32 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 59.25 38.52 23.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 tp -69.06 152.31 45.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -171.06 162.71 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.607 HD23 HG23 ' A' ' 37' ' ' ILE . 17.2 mt -133.52 101.19 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 30' ' ' ARG . 24.6 tp10 -84.07 93.28 8.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.41 80.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' GLU . 20.5 mmm180 -52.28 -51.58 57.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -138.64 178.91 6.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.2 p -72.97 -22.93 60.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.09 8.36 15.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.9 p -143.75 129.7 19.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.545 HD11 HG23 ' A' ' 113' ' ' THR . 65.8 mt -128.15 114.99 36.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.454 ' SD ' ' CE1' ' A' ' 38' ' ' HIS . 5.2 ttm -80.53 146.87 31.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.721 HD12 HG21 ' A' ' 56' ' ' ILE . 2.1 mt -116.69 127.92 74.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.454 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 95.1 m-70 -120.09 115.24 23.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.846 ' CH2' HD11 ' A' ' 56' ' ' ILE . 33.1 p90 -135.17 158.84 43.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.446 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -117.83 154.3 51.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.634 0.73 . . . . 0.0 110.878 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' HD13 ' A' ' 77' ' ' LEU . 54.1 Cg_endo -69.72 144.36 54.01 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.729 2.286 . . . . 0.0 112.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.514 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.82 165.16 31.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.75 152.76 34.92 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.582 0.706 . . . . 0.0 111.11 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -46.16 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.385 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.14 -16.33 12.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 69.1 p -100.86 -18.22 16.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -73.1 114.81 11.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.42 ' ND2' ' HA ' ' A' ' 18' ' ' PRO . 9.0 m-20 -87.67 28.93 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 151.14 -171.2 30.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -87.09 137.98 31.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.599 HD13 ' OH ' ' A' ' 54' ' ' TYR . 60.5 mt -80.01 131.92 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.9 p -102.68 -25.25 13.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.55 170.41 39.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.53 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.599 ' OH ' HD13 ' A' ' 51' ' ' ILE . 94.2 m-85 -120.18 133.55 55.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.941 0.401 . . . . 0.0 110.877 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.491 ' HE3' HD21 ' A' ' 97' ' ' LEU . 13.3 ttmt -95.86 102.41 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.846 HD11 ' CH2' ' A' ' 39' ' ' TRP . 54.8 mt -97.7 127.26 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.5 mtp85 -126.12 147.41 49.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.58 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 52.8 p90 -147.37 142.33 26.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.535 ' NH2' ' CE2' ' A' ' 108' ' ' TRP . 22.7 ptt180 -140.27 177.56 7.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -93.71 135.12 35.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.45 -43.1 16.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -79.53 -52.21 8.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -99.26 84.6 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -73.88 -39.39 63.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.3 m -43.16 -54.64 4.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -68.13 107.33 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 65' ' ' SER . 2.6 t -124.99 152.03 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.402 HG21 ' OH ' ' A' ' 58' ' ' TYR . 49.8 m -114.05 144.88 42.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -108.34 119.71 40.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 m -131.3 103.04 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.697 HD23 ' N ' ' A' ' 72' ' ' VAL . 1.2 tt -100.41 130.04 46.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.697 ' N ' HD23 ' A' ' 71' ' ' LEU . 5.9 m -110.95 179.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 t -69.48 163.69 24.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.77 -39.39 93.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -85.06 1.8 46.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.755 0.312 . . . . 0.0 111.169 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -86.66 117.71 25.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.402 HD13 ' HD3' ' A' ' 41' ' ' PRO . 71.2 mt -113.55 24.94 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.1 p -158.7 148.58 19.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.816 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.489 ' OE1' ' CG1' ' A' ' 72' ' ' VAL . 51.0 tp60 -150.97 155.08 38.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' A' ' 79' ' ' GLN . 26.7 tp -121.06 113.61 20.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 14.1 mm -95.63 93.44 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -91.49 155.08 18.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.61 48.12 2.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.478 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 27.2 mt -115.8 -177.05 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -117.89 140.03 50.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -66.26 163.77 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.59 56.57 2.0 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 76.6 m -154.56 126.38 7.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.105 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -65.21 141.79 58.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.478 ' CE2' ' HB3' ' A' ' 84' ' ' LEU . 36.7 m-85 -138.45 135.5 35.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -97.73 150.49 21.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 74.2 m-85 -148.85 145.89 27.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -148.25 135.98 20.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.735 ' O ' HG23 ' A' ' 106' ' ' THR . 45.7 t -113.11 133.89 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.33 147.35 52.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.95 147.62 22.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.491 HD21 ' HE3' ' A' ' 55' ' ' LYS . 6.8 mt -125.43 136.69 53.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.4 p -137.34 175.5 9.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.5 tt -59.73 -23.01 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -73.94 -14.62 61.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 132.3 -125.23 4.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.409 HG23 ' CD2' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -105.36 154.21 20.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -109.43 -166.76 20.25 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.457 ' HG3' ' C ' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.8 168.47 21.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.234 . . . . 0.0 112.337 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -127.35 135.8 51.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.735 HG23 ' O ' ' A' ' 94' ' ' VAL . 50.3 p -65.33 147.91 52.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.46 138.65 39.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.535 ' CE2' ' NH2' ' A' ' 59' ' ' ARG . 49.3 m95 -52.17 106.33 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.3 tp -101.28 116.84 33.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.8 m -89.78 142.77 27.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -137.07 138.63 40.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -104.32 118.09 35.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.545 HG23 HD11 ' A' ' 35' ' ' ILE . 1.2 p -69.72 165.65 20.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 116' ' ' SER . 63.8 m-85 -77.01 126.27 30.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -41.91 -24.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 114' ' ' PHE . 2.1 m -168.0 135.93 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -51.78 93.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 25.8 tp -106.19 120.14 41.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -55.51 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -73.95 138.87 44.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 91.5 m -97.54 127.63 43.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -153.92 143.48 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 4.1 m -113.03 85.71 8.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.626 0.726 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -177.32 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.73 2.287 . . . . 0.0 112.303 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -70.44 161.62 30.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 11.8 p -112.03 146.08 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.3 m -137.41 175.03 9.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -135.06 83.4 0.28 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -176.14 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.1 t -140.99 166.45 24.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 t -136.97 177.52 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 3' ' ' SER . 28.3 p -116.55 177.94 4.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.373 . . . . 0.0 110.867 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 2' ' ' SER . 60.1 p -35.67 151.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.833 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.06 174.9 25.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.528 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -113.79 165.3 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.354 . . . . 0.0 110.873 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 p -59.68 150.27 28.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.25 -137.25 8.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -55.22 169.07 0.28 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.828 0.347 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.0 t -152.88 137.62 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 64.64 43.77 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.077 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -63.99 138.5 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -129.86 116.07 18.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.4 p -125.59 160.14 30.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mp -84.44 151.02 24.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -142.74 161.16 38.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -77.08 -53.17 8.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -37.94 153.22 0.14 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.642 0.734 . . . . 0.0 111.141 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 155.46 66.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -120.87 12.76 11.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.47 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -105.28 127.88 53.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.666 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.2 162.81 18.49 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.666 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.8 Cg_endo -69.76 142.85 49.05 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 42' ' ' PRO . 1.8 mp0 -108.89 178.49 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 58.6 34.37 23.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.432 HD22 ' CB ' ' A' ' 106' ' ' THR . 59.0 tp -65.2 152.72 42.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.56 ' O ' HD23 ' A' ' 27' ' ' LEU . 3.1 m -171.38 162.92 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.704 HD23 HG23 ' A' ' 37' ' ' ILE . 26.7 mt -133.72 98.96 4.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' MET . 8.6 tp10 -83.53 90.35 7.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.7 t -57.21 84.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 28' ' ' GLU . 48.3 mmm-85 -53.53 -50.08 66.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -141.1 -175.65 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.8 m -78.66 -7.85 58.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.93 4.51 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.2 p -141.63 125.08 16.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.9 mt -122.61 121.09 62.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.5 ttm -88.96 139.75 30.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.704 HG23 HD23 ' A' ' 27' ' ' LEU . 4.1 mt -111.47 131.98 61.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -123.62 118.64 27.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.708 ' CH2' HD11 ' A' ' 56' ' ' ILE . 39.1 p90 -136.85 168.94 18.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -128.31 153.21 78.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.59 0.71 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.457 ' HD3' ' CD1' ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.76 144.28 53.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.434 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 53.3 Cg_endo -69.77 163.48 38.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.35 152.5 23.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -40.57 5.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.08 -47.55 74.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.47 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 25.4 p -68.58 -51.81 38.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' THR . 39.7 mt-30 -36.74 133.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -103.09 33.53 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 146.52 -153.78 25.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -99.12 150.69 21.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.322 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.2 mt -96.87 133.89 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.9 p -104.55 -35.12 7.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.06 176.8 45.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -123.7 157.3 34.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.911 0.386 . . . . 0.0 110.953 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -116.24 104.89 11.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.708 HD11 ' CH2' ' A' ' 39' ' ' TRP . 82.9 mt -97.88 104.19 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -111.63 136.37 50.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.488 ' CZ ' ' HB ' ' A' ' 68' ' ' THR . 21.9 p90 -135.08 144.74 47.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -134.02 178.88 6.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -101.36 135.9 42.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.32 -58.33 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.1 t -57.69 -56.27 24.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -99.0 89.95 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.87 42.94 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 m -130.74 -33.38 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -88.65 99.62 12.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.71 135.01 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.488 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 84.7 m -106.43 141.06 38.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.19 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -98.99 136.3 39.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.2 m -131.06 119.3 21.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.715 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.4 OUTLIER -98.82 139.05 35.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.715 ' N ' HD13 ' A' ' 71' ' ' LEU . 31.0 m -129.87 172.81 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.9 t -75.51 153.96 37.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.52 -44.99 97.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.6 t -79.48 4.79 14.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.73 0.3 . . . . 0.0 111.135 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -97.51 109.65 22.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.457 ' CD1' ' HD3' ' A' ' 41' ' ' PRO . 77.1 mt -103.34 18.83 20.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.9 p -148.39 143.0 26.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.544 ' NE2' HG12 ' A' ' 72' ' ' VAL . 3.9 tp-100 -146.83 156.2 42.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' A' ' 79' ' ' GLN . 27.4 tp -123.86 110.22 14.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.6 mm -95.39 107.57 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -103.3 162.64 12.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.34 43.66 3.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mt -122.77 160.45 25.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -93.22 151.03 20.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.1 165.82 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.1 50.41 4.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.7 m -146.44 132.17 18.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -75.75 145.24 40.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -142.7 143.27 32.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -100.13 144.89 28.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.461 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 75.7 m-85 -141.29 142.99 33.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.459 ' HD2' ' CZ2' ' A' ' 108' ' ' TRP . 11.3 ptm180 -145.41 124.68 12.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.457 HG22 HG12 ' A' ' 56' ' ' ILE . 94.8 t -103.38 134.72 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.75 151.78 51.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.04 142.88 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.8 mt -118.55 129.81 55.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.0 p -129.3 178.12 6.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.7 tt -61.58 -22.23 27.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -75.18 -13.6 60.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 130.5 -120.54 3.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.74 147.05 29.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.351 . . . . 0.0 111.078 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -105.89 -172.91 23.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.484 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.48 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 54.4 Cg_endo -69.76 158.26 57.57 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.243 . . . . 0.0 112.366 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.72 142.15 48.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.442 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 63.9 p -65.24 147.14 53.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.83 134.23 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.459 ' CZ2' ' HD2' ' A' ' 93' ' ' ARG . 45.3 m95 -45.8 109.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.9 tp -102.85 113.5 26.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.2 m -84.52 147.46 27.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.405 ' HB2' HD12 ' A' ' 27' ' ' LEU . . . -146.1 131.58 18.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -101.49 113.86 27.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.24 169.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.44 ' O ' ' N ' ' A' ' 116' ' ' SER . 7.7 m-85 -76.7 118.4 19.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -41.96 -24.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 114' ' ' PHE . 4.8 m -149.68 179.39 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -84.43 101.45 12.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.1 tp -127.37 105.43 8.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.22 150.81 47.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -99.12 118.61 36.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 36.4 p -75.14 176.05 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.5 mtp85 -138.96 -175.71 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 8.4 p -138.91 127.81 14.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 111.141 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 178.88 4.12 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 126' ' ' VAL . 5.4 tp10 -115.41 100.92 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 125' ' ' GLU . 89.1 t -33.86 138.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.086 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 58.8 m -52.23 164.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -94.69 -158.07 33.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -165.87 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.613 2.209 . . . . 0.0 112.372 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.7 t -126.09 176.78 6.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.5 m -74.36 168.47 19.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.539 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.5 p -157.05 157.36 34.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.901 0.381 . . . . 0.0 110.808 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 p -170.95 173.36 5.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.829 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.5 -101.56 0.2 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.427 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t 49.59 42.7 23.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.817 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -96.69 172.54 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.89 171.0 28.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.73 167.44 23.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.876 0.37 . . . . 0.0 110.812 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.8 t -131.82 118.02 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.25 125.84 27.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -75.74 170.88 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -112.31 116.73 30.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.8 t -56.59 146.21 25.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.5 mt -103.09 88.12 3.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 p -99.76 161.09 13.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -56.31 -61.54 2.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -41.51 153.34 0.26 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.639 0.733 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 148.39 65.24 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 t -125.47 48.12 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.494 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -136.31 131.93 35.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -111.95 155.49 43.21 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.559 0.695 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HG3' HG12 ' A' ' 94' ' ' VAL . 53.6 Cg_endo -69.78 135.77 31.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -101.84 176.09 5.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 59.76 35.66 22.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.6 tp -63.62 140.43 58.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.0 m -156.66 161.78 39.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.746 HD23 HG23 ' A' ' 37' ' ' ILE . 6.1 mt -135.35 105.65 6.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' ARG . 25.4 tp10 -91.11 79.95 5.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.0 t -45.61 92.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' GLU . 47.8 mmm-85 -61.62 -54.78 38.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -137.17 -177.42 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.534 ' O ' HG21 ' A' ' 113' ' ' THR . 53.8 p -72.0 -26.31 62.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -113.8 8.05 17.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.2 p -138.43 131.15 29.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.4 mt -130.65 111.99 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.402 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 2.5 ttm -83.66 130.17 34.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.834 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.746 HG23 HD23 ' A' ' 27' ' ' LEU . 5.0 mt -104.49 130.64 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.092 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.402 ' CD2' ' HG2' ' A' ' 36' ' ' MET . 74.9 m-70 -125.56 116.63 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.774 ' CH2' HD11 ' A' ' 56' ' ' ILE . 39.0 p90 -133.06 168.81 17.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -118.51 147.61 42.32 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.475 ' HD3' HD13 ' A' ' 77' ' ' LEU . 54.2 Cg_endo -69.75 144.96 55.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 171.15 15.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.721 2.281 . . . . 0.0 112.311 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.72 148.47 26.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.611 0.719 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -8.77 24.44 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.22 -25.76 15.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.494 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 22.0 p -92.37 -32.76 14.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 46' ' ' THR . 46.6 mt-30 -33.15 -35.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 46' ' ' THR . 20.0 t-20 63.48 25.71 14.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.32 172.24 13.06 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -64.49 145.06 56.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.311 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.46 HD13 ' OH ' ' A' ' 54' ' ' TYR . 83.5 mt -91.39 128.45 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.9 p -91.95 -34.68 14.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.429 ' HA2' ' C ' ' A' ' 73' ' ' SER . . . -176.55 159.01 25.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.534 ' O ' HD23 ' A' ' 71' ' ' LEU . 44.0 m-85 -106.87 124.69 49.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.947 0.403 . . . . 0.0 110.928 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.577 ' HB2' HD11 ' A' ' 97' ' ' LEU . 36.0 tttt -90.14 113.86 25.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.774 HD11 ' CH2' ' A' ' 39' ' ' TRP . 69.0 mt -101.09 107.47 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -107.97 141.7 39.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.45 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 16.8 p90 -149.19 152.25 35.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.54 ' NH2' ' CD1' ' A' ' 108' ' ' TRP . 17.0 ptt180 -140.62 179.08 6.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -92.21 137.14 32.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.43 -23.4 9.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.7 t -90.83 -41.31 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -119.75 109.7 15.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.838 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' SER . 0.9 OUTLIER -88.69 -50.19 6.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LYS . 89.4 p -37.14 -42.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -80.57 110.19 15.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.9 t -124.44 151.79 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.6 m -122.91 128.75 50.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.416 ' CD ' ' C ' ' A' ' 69' ' ' GLU . 4.4 tm-20 -86.52 140.91 29.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.481 HG21 ' CD1' ' A' ' 81' ' ' ILE . 90.7 m -147.78 105.17 3.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.876 HD21 ' CD1' ' A' ' 97' ' ' LEU . 13.3 mt -92.82 162.91 13.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.603 HG11 ' HB2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -130.32 -77.42 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.57 ' H ' HG23 ' A' ' 72' ' ' VAL . 0.9 OUTLIER -172.55 169.06 5.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.76 -47.37 83.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -102.83 35.04 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 0.0 111.168 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.428 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 18.5 tt0 -111.47 114.23 27.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.475 HD13 ' HD3' ' A' ' 41' ' ' PRO . 21.1 mt -108.76 27.12 9.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.2 p -153.07 155.15 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.603 ' HB2' HG11 ' A' ' 72' ' ' VAL . 33.8 tp60 -164.16 154.2 14.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.9 tp -122.23 112.55 18.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.481 ' CD1' HG21 ' A' ' 70' ' ' THR . 28.6 mm -96.98 98.48 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -95.13 168.81 10.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.0 40.96 7.32 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.448 HD11 ' O ' ' A' ' 81' ' ' ILE . 2.0 mt -114.07 171.53 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.43 155.65 18.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -80.97 160.1 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 43.64 52.53 6.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.9 m -146.31 120.71 9.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.099 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -65.11 143.4 57.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -142.98 135.02 27.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.425 ' HB3' ' CE3' ' A' ' 108' ' ' TRP . 1.5 m-80 -97.9 129.49 44.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.45 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 97.6 m-85 -124.16 152.83 42.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.559 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 7.3 ptp180 -153.54 134.59 13.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.808 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' A' ' 22' ' ' PRO . 61.0 t -103.69 141.3 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.54 147.74 39.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.38 150.26 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.876 ' CD1' HD21 ' A' ' 71' ' ' LEU . 10.3 mt -130.04 142.85 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.2 p -140.64 176.19 8.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.7 tp -54.99 -35.93 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -60.33 -20.53 59.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.31 -118.45 1.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.452 HG22 ' CD2' ' A' ' 97' ' ' LEU . 21.9 p -110.28 164.53 12.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 111.17 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -119.36 -174.88 15.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.491 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.7 Cg_endo -69.8 169.34 19.2 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.697 2.264 . . . . 0.0 112.306 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.99 147.71 50.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.057 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 69.4 p -76.71 161.27 28.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -51.12 169.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.559 ' CZ3' ' HG2' ' A' ' 93' ' ' ARG . 24.9 m95 -87.15 95.43 9.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.5 tp -86.79 117.55 25.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.5 p -88.19 133.63 33.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -133.06 130.91 39.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -104.84 116.64 32.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.534 HG21 ' O ' ' A' ' 32' ' ' SER . 0.8 OUTLIER -59.67 167.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -79.67 121.37 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -42.58 -30.45 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.2 t -139.83 148.74 42.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.33 85.1 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -110.49 110.5 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -64.9 102.18 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -85.31 138.64 32.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 61.9 m -104.4 139.15 39.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.09 173.45 11.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 25.8 m -115.44 137.71 23.27 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -177.43 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -141.75 125.93 17.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 126' ' ' VAL . 8.9 p -95.61 129.37 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 60.3 p -107.76 176.98 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -134.7 163.44 24.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 162.42 42.11 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.688 2.258 . . . . 0.0 112.381 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 131' ' ' SER . 61.3 p -108.5 -55.54 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 130' ' ' SER . 8.7 t -35.91 148.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.9 p -131.76 174.31 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.372 . . . . 0.0 110.882 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 m -111.7 165.98 11.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.05 111.89 0.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -94.76 -48.65 5.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.824 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -171.23 177.63 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.48 41.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -111.55 80.96 1.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.1 t -111.3 122.67 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -166.65 114.34 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 11' ' ' VAL . 7.3 p -164.97 120.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -144.47 125.67 14.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.437 ' C ' HD12 ' A' ' 14' ' ' LEU . 17.2 p -151.17 149.69 29.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 13' ' ' THR . 3.8 mp -147.75 133.43 18.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.9 p -174.63 172.8 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -82.53 46.39 1.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.7 m -92.9 153.72 41.97 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.634 0.73 . . . . 0.0 111.101 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HA ' ' ND2' ' A' ' 48' ' ' ASN . 54.1 Cg_endo -69.72 84.13 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.7 p -72.09 69.39 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.656 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -169.69 115.43 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.84 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -92.97 168.86 11.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.568 0.699 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.84 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.68 151.57 69.54 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.731 2.287 . . . . 0.0 112.343 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -116.5 177.29 4.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 57.56 28.31 15.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.2 tp -58.11 147.24 30.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.51 ' O ' HD23 ' A' ' 27' ' ' LEU . 34.0 m -162.34 162.3 27.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 26' ' ' SER . 10.9 mt -134.8 99.4 4.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -85.1 87.31 7.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.6 t -52.41 108.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.481 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 3.3 mmp_? -78.47 -54.34 6.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -138.38 173.11 11.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.5 p -67.97 -14.98 63.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -120.43 8.21 10.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -147.92 139.26 23.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.557 HD11 HG23 ' A' ' 113' ' ' THR . 96.4 mt -134.3 122.33 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.481 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 6.1 tpt -84.15 131.91 34.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.631 HD12 HD13 ' A' ' 56' ' ' ILE . 2.9 mt -103.94 140.01 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.435 ' NE2' ' HG2' ' A' ' 36' ' ' MET . 90.1 m-70 -134.97 115.2 13.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.684 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 28.8 p90 -135.42 155.94 49.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -116.08 152.7 48.01 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.586 0.707 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 145.45 57.56 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 168.24 22.18 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.701 2.267 . . . . 0.0 112.38 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.84 152.55 48.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.579 0.704 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -38.76 7.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.68 -39.74 71.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.656 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 6.7 p -76.46 -50.34 14.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -48.96 107.38 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -107.08 33.6 3.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.62 172.83 45.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.448 ' OE1' ' C ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -89.91 117.8 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.331 . . . . 0.0 110.914 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.499 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 89.1 mt -68.16 114.52 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.5 p -94.63 -23.07 17.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.32 166.83 32.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.78 ' O ' HD12 ' A' ' 71' ' ' LEU . 45.0 m-85 -117.5 159.78 22.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.947 0.404 . . . . 0.0 110.928 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.82 ' HD2' HD21 ' A' ' 97' ' ' LEU . 24.9 mttp -120.8 118.3 29.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.684 HD11 ' CZ3' ' A' ' 39' ' ' TRP . 29.4 mt -104.35 106.01 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -104.3 130.86 52.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.453 ' CE1' ' HB ' ' A' ' 68' ' ' THR . 7.7 p90 -136.39 153.79 51.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.622 ' NH2' ' CD1' ' A' ' 108' ' ' TRP . 23.5 ptt180 -143.96 175.86 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' ALA . 34.4 mttp -101.49 125.15 48.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' LYS . . . -37.66 -42.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.2 t -73.02 -55.77 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -106.76 82.32 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -73.1 -46.1 53.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.964 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -38.58 -41.25 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -83.29 111.38 18.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.1 t -124.15 153.75 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.453 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 10.0 m -119.11 146.35 45.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.168 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -106.58 140.15 39.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.8 m -143.06 107.74 4.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 54' ' ' TYR . 30.3 tp -92.42 146.94 23.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.9 m -129.9 -179.17 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 t -75.31 152.38 38.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.46 -27.57 66.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -97.2 14.28 26.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 111.149 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -96.6 125.48 41.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.2 mt -113.25 7.91 17.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.5 m -155.95 152.63 28.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -148.93 150.81 33.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.1 tp -111.24 122.08 46.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.6 mm -103.73 97.2 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -88.04 160.33 17.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.84 47.49 3.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.1 mt -116.31 171.51 7.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.746 0.308 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -105.47 160.08 15.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -85.8 158.68 19.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.8 56.83 3.6 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.427 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.4 m -149.72 134.72 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.722 0.296 . . . . 0.0 111.15 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -73.66 136.6 43.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.48 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . 47.0 m-85 -134.89 132.21 38.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -96.9 141.67 29.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 90' ' ' TYR . 71.0 m-85 -139.72 152.04 46.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.486 ' HD3' ' CZ2' ' A' ' 108' ' ' TRP . 12.3 ptt180 -155.81 130.73 9.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.615 HG22 HG12 ' A' ' 56' ' ' ILE . 47.0 t -105.47 137.17 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.38 140.05 48.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.23 148.0 24.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.82 HD21 ' HD2' ' A' ' 55' ' ' LYS . 5.7 mt -128.22 142.4 51.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.405 HG22 ' HA ' ' A' ' 51' ' ' ILE . 71.5 p -142.13 170.5 15.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.7 tt -54.95 -29.77 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.159 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -65.41 -20.41 66.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 143.53 -110.83 0.61 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.471 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.552 HG22 ' CD2' ' A' ' 97' ' ' LEU . 3.1 p -121.65 178.22 4.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -134.02 -177.92 15.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.485 ' HG2' ' CA ' ' A' ' 21' ' ' ALA . 53.8 Cg_endo -69.75 159.72 52.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.41 139.95 49.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.069 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.474 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 73.2 p -68.86 134.36 49.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.3 OUTLIER -36.34 142.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.622 ' CD1' ' NH2' ' A' ' 59' ' ' ARG . 67.2 m95 -56.65 98.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 109' ' ' LEU . 9.5 tp -89.09 116.22 27.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.8 p -90.73 147.88 22.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.37 129.15 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -97.99 113.94 25.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.557 HG23 HD11 ' A' ' 35' ' ' ILE . 1.8 p -58.32 178.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -87.69 125.18 34.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -45.65 -31.54 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.1 t -147.57 161.58 40.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.57 -46.17 87.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.8 mt -48.01 98.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -100.81 42.46 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -59.67 149.1 31.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.7 t -104.92 164.2 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -105.7 164.75 11.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.3 m -74.64 138.58 73.93 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.646 0.736 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 170.11 17.34 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -145.4 105.6 4.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.6 p -128.37 143.84 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.6 m -133.32 99.36 4.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -129.95 91.05 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 177.31 5.72 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.0 t -152.23 172.86 15.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.8 m -123.66 -58.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.54 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -49.38 175.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -138.66 158.53 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.838 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.17 -161.19 6.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.472 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -153.72 159.86 42.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.848 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -150.93 163.45 38.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.78 -155.73 7.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -130.95 122.23 26.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 1.7 p -39.66 154.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.423 ' N ' ' CG2' ' A' ' 9' ' ' VAL . . . -134.28 86.64 2.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.448 HG22 ' H ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -75.52 126.91 36.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -120.83 139.08 53.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.9 m -102.48 136.26 42.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 mt -67.77 99.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.449 ' HB2' HG22 ' A' ' 17' ' ' VAL . 84.9 p -152.2 129.08 10.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.52 -25.37 66.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.449 HG22 ' HB2' ' A' ' 15' ' ' SER . 2.2 m -63.49 147.49 95.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.657 0.741 . . . . 0.0 111.087 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 81.19 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.25 . . . . 0.0 112.336 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 t -71.45 69.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.443 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -174.54 121.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.072 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.676 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -89.51 163.55 32.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.523 0.678 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.676 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.8 142.48 47.89 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.642 2.228 . . . . 0.0 112.364 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.475 ' NE2' ' HA ' ' A' ' 42' ' ' PRO . 2.5 mp0 -103.71 177.54 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 54.63 45.73 26.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.4 tp -74.03 148.99 41.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.615 ' O ' HD23 ' A' ' 27' ' ' LEU . 15.7 m -162.78 159.97 24.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.796 ' HG ' HD23 ' A' ' 109' ' ' LEU . 19.4 mt -131.14 96.63 4.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -82.1 91.91 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.5 t -62.61 95.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 mmm-85 -70.32 -47.35 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.9 169.44 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 m -69.62 -10.66 59.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -114.88 -12.02 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.548 ' OG ' HD11 ' A' ' 80' ' ' LEU . 25.0 t -125.32 156.25 38.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.458 HD11 HG23 ' A' ' 113' ' ' THR . 47.0 mt -151.51 108.47 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.9 tpp -77.91 141.43 39.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.69 HD12 HG21 ' A' ' 56' ' ' ILE . 3.1 mt -117.43 120.59 65.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -112.55 116.39 30.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.808 ' CH2' HD11 ' A' ' 56' ' ' ILE . 34.1 p90 -133.4 154.86 50.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -110.52 152.6 43.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.712 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 144.64 54.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.475 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 54.5 Cg_endo -69.69 170.97 15.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.403 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.08 152.18 22.75 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.553 0.692 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -29.83 22.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.299 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.78 -14.44 61.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.1 p -118.39 45.05 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -121.02 -27.89 4.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 38.65 32.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.37 -171.1 28.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -101.12 144.63 29.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.634 ' HA ' HG22 ' A' ' 98' ' ' THR . 80.2 mt -81.17 131.02 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.3 p -95.84 -34.22 11.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.0 162.57 33.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.495 ' O ' HG22 ' A' ' 72' ' ' VAL . 56.5 m-85 -108.78 138.38 45.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.934 0.397 . . . . 0.0 110.886 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.631 ' HB2' HD11 ' A' ' 97' ' ' LEU . 23.6 tttt -100.76 99.23 9.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.808 HD11 ' CH2' ' A' ' 39' ' ' TRP . 37.1 mt -93.2 111.93 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -112.36 136.32 51.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -135.45 143.83 46.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.412 ' NH1' ' OD1' ' A' ' 91' ' ' ASN . 18.3 ptt85 -132.24 174.76 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -103.14 124.9 49.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.43 -46.71 13.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.1 t -65.49 -54.56 26.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -108.16 63.91 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -39.78 -49.28 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.1 m -45.28 -41.11 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.96 94.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.807 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.6 p -129.08 142.16 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.3 m -116.62 141.24 48.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.488 ' CD ' ' CE ' ' A' ' 55' ' ' LYS . 11.7 tt0 -99.88 133.25 44.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.3 m -128.62 127.34 42.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.5 tp -107.4 146.74 31.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 54' ' ' TYR . 17.1 m -138.05 179.63 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.176 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 m -73.59 166.73 22.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -77.19 -40.55 24.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.2 t -80.79 -1.84 44.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.722 0.296 . . . . 0.0 111.173 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.452 ' NE2' ' OE1' ' A' ' 79' ' ' GLN . 30.6 tt0 -90.84 113.43 25.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.8 mt -102.79 12.72 35.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.443 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 96.6 p -142.26 153.54 44.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.452 ' OE1' ' NE2' ' A' ' 76' ' ' GLN . 40.0 tp60 -157.32 140.31 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.548 HD11 ' OG ' ' A' ' 34' ' ' SER . 20.9 tp -107.99 117.82 35.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.2 mm -101.66 102.38 13.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -95.01 166.66 11.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.81 51.14 3.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.1 mt -117.42 171.26 8.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -108.11 129.87 55.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -57.69 157.29 7.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.25 51.55 7.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.2 m -145.3 124.48 12.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.758 0.313 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -69.34 128.55 36.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -127.64 134.8 49.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.983 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.488 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -99.22 147.82 24.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 91' ' ' ASN . 5.3 m-85 -142.69 154.87 44.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.585 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 8.4 ptm180 -150.5 125.21 9.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.66 HG22 HG12 ' A' ' 56' ' ' ILE . 97.1 t -103.19 133.71 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.63 142.2 45.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -87.53 139.77 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.696 ' CD2' HG22 ' A' ' 102' ' ' THR . 6.2 mt -121.43 140.2 52.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.634 HG22 ' HA ' ' A' ' 51' ' ' ILE . 43.6 p -138.95 173.67 11.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.405 ' H ' HG22 ' A' ' 99' ' ' ILE . 2.3 tt -56.55 -32.36 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.09 -17.54 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.76 -133.03 5.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.696 HG22 ' CD2' ' A' ' 97' ' ' LEU . 36.3 p -109.2 168.94 9.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.346 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -123.07 179.0 16.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.481 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.75 151.0 69.02 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.313 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.39 130.11 55.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.472 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 75.3 p -50.13 165.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.21 169.82 0.78 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.585 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 29.3 m95 -80.07 91.46 5.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.796 HD23 ' HG ' ' A' ' 27' ' ' LEU . 8.9 tp -85.97 111.77 20.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.1 m -90.45 138.62 31.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.483 ' HB2' HD12 ' A' ' 27' ' ' LEU . . . -134.76 130.92 36.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -98.14 113.04 24.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.458 HG23 HD11 ' A' ' 35' ' ' ILE . 0.8 OUTLIER -61.24 166.18 3.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.438 ' CD2' ' OD2' ' A' ' 119' ' ' ASP . 66.5 m-85 -75.9 126.35 30.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -46.55 -23.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.1 t -145.73 146.01 31.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.09 -44.19 71.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 118' ' ' LEU . 0.6 OUTLIER -61.26 91.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.438 ' OD2' ' CD2' ' A' ' 114' ' ' PHE . 20.0 m-20 -107.56 123.17 48.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -100.72 91.77 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 53.1 m -129.02 102.39 6.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -57.99 130.0 44.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.0 t -97.26 126.29 42.47 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.655 0.741 . . . . 0.0 111.073 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 163.21 39.16 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -102.22 108.65 20.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.8 p -142.44 121.14 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.114 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.4 t -97.81 163.82 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -138.32 135.1 7.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -171.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.645 2.23 . . . . 0.0 112.333 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 83.4 p -128.8 163.71 24.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.0 m -107.54 142.57 37.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.813 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.54 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -105.13 142.57 34.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -120.37 145.21 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.45 50.17 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.469 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.7 p -90.3 113.54 25.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.89 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 p -113.32 134.05 54.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.9 -139.92 6.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -169.73 140.03 2.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.893 0.378 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.548 HG12 HG23 ' A' ' 11' ' ' VAL . 61.9 t -143.92 140.65 25.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.34 71.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.816 HG12 HG23 ' A' ' 13' ' ' THR . 79.2 t -142.6 116.05 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -90.9 87.17 6.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.816 HG23 HG12 ' A' ' 11' ' ' VAL . 24.6 p -102.42 142.68 33.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.571 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -93.93 -24.92 17.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.405 ' OG ' HG22 ' A' ' 17' ' ' VAL . 19.7 t -145.89 155.11 42.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.808 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -80.52 -54.4 5.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.415 ' HA ' ' CB ' ' A' ' 100' ' ' ASN . 13.1 m -46.41 153.3 0.75 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 146.62 61.07 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.268 . . . . 0.0 112.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.3 m -124.19 47.27 2.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.554 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -151.01 113.97 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.7 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -81.88 163.95 51.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.705 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.7 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.82 133.65 25.96 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -97.24 -175.33 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 52.86 38.84 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.7 tp -73.14 153.55 40.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -170.47 161.85 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.57 HD23 HG23 ' A' ' 37' ' ' ILE . 20.3 mt -131.29 98.16 4.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -85.29 84.51 7.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.9 t -52.55 94.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -65.11 -48.74 72.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -138.97 -175.65 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.522 ' O ' HG21 ' A' ' 113' ' ' THR . 52.8 p -76.81 -34.13 57.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.8 14.73 31.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.1 t -146.97 153.39 40.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.9 mt -149.8 110.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.468 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 3.3 ttm -78.33 143.79 36.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.57 HG23 HD23 ' A' ' 27' ' ' LEU . 5.2 mt -118.5 133.48 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.468 ' CD2' ' HG2' ' A' ' 36' ' ' MET . 90.7 m-70 -126.16 118.0 24.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.6 ' CH2' HD11 ' A' ' 56' ' ' ILE . 41.3 p90 -131.98 176.65 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -134.88 152.11 76.82 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 140.69 43.28 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 170.96 15.3 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.277 . . . . 0.0 112.382 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.1 152.22 15.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.582 0.706 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -29.53 23.68 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.31 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.17 -30.69 65.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.554 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 71.1 p -100.13 39.28 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -110.48 -51.62 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 63.06 35.56 12.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 145.72 -173.95 25.88 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -101.14 137.74 39.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.1 mt -74.84 142.52 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.5 p -112.34 -42.7 3.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.11 166.68 38.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -111.9 148.59 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 0.0 110.967 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -114.32 91.73 3.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.682 HG12 HG22 ' A' ' 94' ' ' VAL . 58.7 mt -85.96 121.34 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -121.08 136.81 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.577 ' CE1' ' HB ' ' A' ' 68' ' ' THR . 11.7 p90 -137.3 147.83 45.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.482 ' HB3' HG22 ' A' ' 67' ' ' VAL . 35.6 ptt180 -141.25 163.19 33.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -79.6 141.73 36.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.2 13.52 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.2 m -120.56 -31.58 4.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.0 ttt85 -105.26 -32.87 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 40.45 36.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -134.34 -38.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -88.75 113.31 24.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.482 HG22 ' HB3' ' A' ' 59' ' ' ARG . 10.4 t -121.33 143.12 34.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.577 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 34.6 m -115.07 140.92 48.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -98.57 131.49 44.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.0 m -126.39 110.28 13.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.465 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -95.53 129.56 42.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.465 ' N ' HD13 ' A' ' 71' ' ' LEU . 30.5 m -125.5 176.65 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.6 t -75.58 156.28 35.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.51 -58.39 14.59 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t -58.84 -32.1 69.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.723 0.297 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -60.78 114.87 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.413 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 77.9 mt -106.01 25.48 10.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 48.0 m -158.65 164.16 36.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.437 ' HB2' HG11 ' A' ' 72' ' ' VAL . 39.8 tp60 -162.19 141.65 9.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 tp -102.76 110.25 22.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.5 mm -90.18 98.5 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -96.03 165.66 12.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.82 44.39 4.52 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.1 mt -119.3 172.5 7.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -109.66 155.98 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.0 ptt85 -79.09 158.17 27.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.06 53.51 18.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.6 m -150.19 129.12 12.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.762 0.315 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.417 ' CG ' ' OG ' ' A' ' 110' ' ' SER . 31.7 tt0 -75.5 138.85 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -137.36 149.73 47.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -111.03 145.03 39.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.544 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 76.8 m-85 -139.48 153.47 47.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.493 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 4.6 ptm85 -156.86 130.08 7.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.682 HG22 HG12 ' A' ' 56' ' ' ILE . 94.6 t -102.82 148.24 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.7 140.5 27.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.048 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.2 146.93 23.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.61 ' CD2' HG23 ' A' ' 102' ' ' THR . 14.3 mt -123.78 137.93 54.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 47.8 p -137.14 170.28 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.0 tt -56.98 -19.32 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.415 ' CB ' ' HA ' ' A' ' 17' ' ' VAL . 32.3 m-80 -72.66 -15.11 61.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 134.64 -104.28 0.51 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.61 HG23 ' CD2' ' A' ' 97' ' ' LEU . 1.7 m -128.92 151.0 50.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 111.164 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -107.92 -177.82 22.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.465 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.3 Cg_endo -69.78 166.0 29.09 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.329 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.432 ' HB3' HH21 ' A' ' 93' ' ' ARG . . . -127.69 125.59 40.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.061 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 77.0 p -46.24 160.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -57.32 177.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.493 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 25.9 m95 -87.18 99.02 11.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.1 tp -97.37 114.03 25.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.417 ' OG ' ' CG ' ' A' ' 89' ' ' GLU . 5.6 t -88.95 154.49 20.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.07 130.0 14.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -98.31 117.08 31.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.522 HG21 ' O ' ' A' ' 32' ' ' SER . 1.9 p -62.35 168.96 3.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 115' ' ' GLU . 70.5 m-85 -81.8 120.96 25.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 114' ' ' PHE . 54.7 mt-10 -37.16 -37.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.8 m -136.16 174.73 10.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -92.8 92.44 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 tt -126.08 113.61 17.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -51.83 104.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.827 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -117.98 41.5 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 75.8 p -75.02 151.74 38.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.16 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.4 ptt85 -107.99 166.04 11.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 123' ' ' VAL . 7.4 p -91.28 122.14 66.65 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 139.36 39.82 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -110.21 133.02 53.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 28.2 m -97.77 133.38 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.6 m -162.12 128.59 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 123.48 151.81 8.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -174.57 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.735 2.29 . . . . 0.0 112.321 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.4 t -144.63 158.89 43.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 86.0 p -162.38 172.54 15.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 t -107.86 138.91 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -173.81 154.19 2.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.04 169.75 36.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.2 m -112.5 111.98 23.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 110.822 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -94.79 173.99 7.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.31 76.33 1.0 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -157.56 120.91 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.5 t -93.54 83.64 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.0 124.17 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 11' ' ' VAL . 14.2 p -97.66 125.96 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.3 mtp85 -97.07 -46.63 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.0 p -116.25 104.96 12.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.4 -42.56 65.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.5 p -144.0 163.65 32.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -42.53 -58.9 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.6 m -47.03 150.6 1.32 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.61 0.719 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.5 63.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.268 . . . . 0.0 112.337 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.0 t -117.25 33.64 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.491 ' C ' ' CG ' ' A' ' 104' ' ' PRO . . . -129.09 134.86 48.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.696 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -115.99 163.86 19.82 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.582 0.706 . . . . 0.0 111.099 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.696 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.76 142.37 47.74 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.268 . . . . 0.0 112.333 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -110.23 -175.53 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 53.78 29.1 9.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 26' ' ' SER . 37.1 tp -59.79 156.13 14.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.404 ' N ' ' HG ' ' A' ' 25' ' ' LEU . 9.0 m -173.02 161.85 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.503 HD23 HG23 ' A' ' 37' ' ' ILE . 5.9 mt -133.79 102.74 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -87.69 87.91 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -53.05 105.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.482 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 10.7 mmm180 -78.59 -45.16 22.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -137.21 -175.7 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.5 p -81.7 -16.18 52.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.37 -10.41 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 p -124.15 142.42 51.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -134.46 129.1 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.482 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 6.1 tpt -89.35 137.74 32.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.627 ' CD1' HG21 ' A' ' 56' ' ' ILE . 4.2 mt -114.38 122.52 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -120.76 120.44 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.655 ' CH2' HD11 ' A' ' 56' ' ' ILE . 37.9 p90 -136.43 166.92 22.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -125.31 153.14 72.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.432 ' HD3' HD13 ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.84 144.35 53.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 170.77 15.77 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.342 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.6 145.01 71.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -31.96 19.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.361 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.02 73.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.6 p -80.31 -45.97 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -39.1 143.97 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -116.75 -16.54 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -163.52 156.25 27.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -55.55 133.93 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.475 HG21 ' CE1' ' A' ' 54' ' ' TYR . 65.5 mt -78.01 122.38 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.0 p -92.39 -29.83 16.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -179.41 169.93 41.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.437 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.48 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 41.6 m-85 -116.26 144.61 44.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 110.913 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -107.38 99.55 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.655 HD11 ' CH2' ' A' ' 39' ' ' TRP . 47.7 mt -93.9 116.7 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 69' ' ' GLU . 29.3 mtt-85 -120.47 146.48 46.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.534 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 1.8 p90 -147.37 157.14 43.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.43 ' HB3' HG22 ' A' ' 67' ' ' VAL . 9.9 ptp180 -142.49 178.98 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -99.61 131.63 45.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.53 -48.92 38.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.0 t -69.08 -39.38 79.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -125.68 84.3 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' SER . 1.8 mptp? -64.34 -46.86 81.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.589 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.5 m -34.69 -52.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -67.48 107.29 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 65' ' ' SER . 2.1 t -128.05 142.48 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.419 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 54.2 m -112.12 124.7 52.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 57' ' ' ARG . 4.3 tm-20 -89.83 129.13 36.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.4 m -127.82 128.1 44.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 54' ' ' TYR . 15.4 tp -107.81 141.5 39.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.74 HG11 ' HB2' ' A' ' 79' ' ' GLN . 9.3 m -127.73 -178.38 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 m -84.08 158.55 21.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.06 -52.48 47.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.9 t -68.16 -5.89 20.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 111.165 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -87.12 119.42 27.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.432 HD13 ' HD3' ' A' ' 41' ' ' PRO . 94.3 mt -107.7 13.66 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.432 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 18.2 m -152.62 152.72 32.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.74 ' HB2' HG11 ' A' ' 72' ' ' VAL . 16.6 tp60 -151.87 140.26 20.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 tp -100.66 125.53 47.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.508 HG13 HD11 ' A' ' 37' ' ' ILE . 12.9 mm -106.83 109.84 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -103.9 167.09 10.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.47 38.0 6.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.2 mt -114.72 167.93 10.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -105.51 159.78 15.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -80.53 165.85 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 39.28 51.62 2.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.1 m -147.81 121.57 9.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 111.141 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -68.45 140.38 55.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -135.91 147.95 48.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.9 134.53 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 91.1 m-85 -132.13 149.74 52.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.525 ' HD3' ' CZ2' ' A' ' 108' ' ' TRP . 34.0 ptt180 -154.12 132.2 11.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 106' ' ' THR . 20.6 t -106.73 148.24 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.93 143.21 30.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.37 141.56 28.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.555 ' CD2' HG23 ' A' ' 102' ' ' THR . 12.2 mt -120.09 132.98 55.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.8 p -133.63 173.03 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 tp -53.47 -34.99 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -61.41 -23.02 65.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.15 -125.91 3.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.555 HG23 ' CD2' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -103.17 148.59 25.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.119 -179.84 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -105.94 -173.05 23.56 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.491 ' CG ' ' C ' ' A' ' 20' ' ' ALA . 54.3 Cg_endo -69.68 163.24 38.94 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -112.55 166.88 10.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 94' ' ' VAL . 62.0 p -96.25 131.59 42.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -33.02 136.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.525 ' CZ2' ' HD3' ' A' ' 93' ' ' ARG . 59.1 m95 -55.61 104.7 0.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 109' ' ' LEU . 9.0 tp -100.4 119.14 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 91.2 p -87.93 148.25 24.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.2 128.55 15.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.057 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -100.16 115.37 29.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.7 p -62.26 170.4 2.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -81.36 126.38 31.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -41.81 -35.16 0.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.0 t -150.28 176.31 11.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -67.07 85.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 20.4 tp -118.41 82.81 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.75 111.06 8.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -85.04 171.79 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.5 t -143.02 130.22 20.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -156.01 151.64 27.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.4 p -133.89 126.55 18.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 145.11 56.32 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -102.25 125.8 49.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.401 HG22 ' N ' ' A' ' 127' ' ' SER . 8.0 p -136.77 152.51 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.401 ' N ' HG22 ' A' ' 126' ' ' VAL . 62.4 m -150.83 165.61 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -168.56 146.45 10.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 170.29 17.01 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 36.4 p -124.09 162.39 23.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.7 t -154.96 153.65 31.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.447 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 m -101.86 -54.32 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -119.92 174.78 6.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.6 171.33 43.98 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -166.66 123.59 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.869 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -169.44 171.88 7.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.72 102.5 2.73 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 9' ' ' VAL . 3.2 m-20 -117.21 42.54 2.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.809 0.337 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.531 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.2 p 32.62 42.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.61 112.25 24.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -142.4 140.36 28.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -123.5 122.55 38.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.3 m -95.16 141.6 28.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.7 mt -107.69 101.48 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.2 m -159.4 164.82 34.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -61.74 -66.81 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -44.38 154.16 0.42 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.579 0.704 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 143.09 49.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.8 t -124.04 43.27 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -148.66 114.03 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.653 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -87.19 162.85 42.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.623 0.725 . . . . 0.0 111.093 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.653 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.8 Cg_endo -69.78 140.0 41.55 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.635 2.224 . . . . 0.0 112.407 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -104.26 -176.09 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 51.3 36.16 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.505 HD22 ' CB ' ' A' ' 106' ' ' THR . 54.9 tp -64.08 152.55 40.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.431 ' H ' HD12 ' A' ' 25' ' ' LEU . 66.2 p -165.35 155.08 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.416 ' CD1' ' HB2' ' A' ' 111' ' ' ALA . 15.5 mt -126.99 99.31 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -82.69 88.17 6.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.9 90.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.3 mmm-85 -61.44 -54.57 41.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -132.82 -177.27 4.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 p -74.43 -27.99 60.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -106.76 -6.03 18.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.4 m -124.61 143.82 50.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.645 HD11 HG23 ' A' ' 113' ' ' THR . 68.7 mt -143.41 117.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.4 tpp -82.69 136.75 34.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.671 ' CD1' HG21 ' A' ' 56' ' ' ILE . 20.0 mt -111.22 113.57 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -109.4 119.39 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.729 ' CH2' HD11 ' A' ' 56' ' ' ILE . 43.5 p90 -134.17 159.01 42.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 39' ' ' TRP . 1.4 mp0 -114.87 147.47 38.33 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 143.0 49.28 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 171.08 15.14 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.646 2.231 . . . . 0.0 112.391 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.93 154.01 10.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 111.062 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.33 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.15 -47.18 23.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.1 p -59.01 -46.76 87.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -59.73 99.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.4 -15.23 60.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -143.31 -150.94 5.38 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -110.48 145.36 37.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.58 ' HA ' HG22 ' A' ' 98' ' ' THR . 83.1 mt -91.19 131.61 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 68.1 p -101.46 -47.02 4.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.96 169.61 32.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.461 ' CE1' HG21 ' A' ' 51' ' ' ILE . 29.9 m-85 -118.83 127.7 53.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.978 0.418 . . . . 0.0 110.923 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.423 ' HE3' ' CD ' ' A' ' 69' ' ' GLU . 6.8 tttp -92.0 101.35 13.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.729 HD11 ' CH2' ' A' ' 39' ' ' TRP . 21.4 mt -99.81 115.23 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -115.0 144.09 44.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.584 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 49.2 p90 -140.06 154.76 47.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.652 ' HB3' HG22 ' A' ' 67' ' ' VAL . 34.2 ptt180 -147.16 179.49 7.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -90.65 148.77 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.56 -30.92 61.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.7 t -83.4 -55.81 4.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -68.49 -50.67 50.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.1 mttt 49.26 34.77 6.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.4 m -134.12 -36.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -90.39 111.03 22.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.652 HG22 ' HB3' ' A' ' 59' ' ' ARG . 12.0 t -118.39 138.95 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.438 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 25.4 m -108.4 139.91 42.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.423 ' CD ' ' HE3' ' A' ' 55' ' ' LYS . 30.0 tt0 -92.69 133.85 35.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.7 m -138.52 111.67 7.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.5 tp -98.63 146.23 26.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 54' ' ' TYR . 29.8 m -135.7 178.95 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.8 t -79.68 154.59 28.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.65 -61.11 7.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.434 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 t -61.56 -18.77 60.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.725 0.297 . . . . 0.0 111.122 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -72.96 111.17 7.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.2 mt -104.7 27.01 8.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.7 p -150.63 157.14 42.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -158.79 135.78 9.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 tp -105.34 111.43 24.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.4 mm -95.35 94.09 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -92.76 159.96 15.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.57 45.12 3.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 mt -116.94 -175.46 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -109.97 165.35 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 87' ' ' GLY . 14.9 ptt180 -90.04 163.54 14.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 86' ' ' ARG . . . 34.87 48.38 0.72 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.466 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 62.4 m -139.58 126.56 20.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 111.107 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -71.8 141.19 49.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -138.39 146.23 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.466 ' HB3' ' CE3' ' A' ' 108' ' ' TRP . 1.8 m-80 -107.86 134.56 50.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 33.7 m-85 -128.4 162.92 26.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.568 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 11.3 ptm180 -157.04 124.32 5.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.669 HG22 HG12 ' A' ' 56' ' ' ILE . 84.9 t -102.97 134.71 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.86 146.03 50.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.18 136.68 36.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 102' ' ' THR . 6.9 mt -113.38 145.29 41.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.58 HG22 ' HA ' ' A' ' 51' ' ' ILE . 75.6 p -140.62 173.4 11.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 100' ' ' ASN . 4.5 tp -51.3 -39.79 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.155 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.413 ' N ' HG23 ' A' ' 99' ' ' ILE . 3.6 m120 -59.54 -24.55 63.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.96 -123.66 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.415 ' HA ' HD23 ' A' ' 97' ' ' LEU . 63.2 p -101.54 169.84 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 111.165 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.15 -170.48 12.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.521 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 53.3 Cg_endo -69.8 168.73 20.75 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.307 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -125.76 158.05 35.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.505 ' CB ' HD22 ' A' ' 25' ' ' LEU . 80.9 p -83.23 128.83 34.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.4 OUTLIER -33.96 139.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.568 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 38.8 m95 -49.13 106.26 0.1 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.8 tp -102.13 116.84 33.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 53.7 p -84.06 144.5 29.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.416 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . . . -144.71 128.95 17.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -104.43 118.76 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.645 HG23 HD11 ' A' ' 35' ' ' ILE . 1.8 p -68.26 172.35 5.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 119' ' ' ASP . 35.1 m-85 -84.35 115.33 22.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -39.73 -34.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.9 m -136.63 163.08 31.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.803 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -45.76 -42.02 11.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.29 95.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.519 ' HB2' ' CE2' ' A' ' 114' ' ' PHE . 22.2 p-10 -101.95 168.77 9.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -97.82 145.62 26.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.0 t -118.49 137.62 53.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.162 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 51.9 ptt85 -158.46 175.67 13.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.62 128.24 24.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.648 0.737 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 168.57 21.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.629 2.22 . . . . 0.0 112.349 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -117.6 92.34 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 92.8 t -99.32 143.28 13.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 89.9 p -158.67 149.16 19.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 138.55 89.95 0.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.49 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 159.39 53.56 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 90.3 p -136.09 176.12 8.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 68.9 m -114.94 -60.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.491 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 1' ' ' GLY . 12.4 t 35.66 42.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.819 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -76.48 105.4 7.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.53 168.67 21.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 m -149.14 175.69 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -127.87 164.6 21.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.7 -151.12 10.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -162.67 127.41 3.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 p -115.22 150.96 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.33 142.18 31.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.478 HG22 ' N ' ' A' ' 12' ' ' ARG . 11.6 p -124.42 157.34 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.478 ' N ' HG22 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -143.99 144.66 31.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.7 p -106.23 173.05 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.46 123.82 49.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.6 t -158.13 169.04 25.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -41.77 -60.93 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.4 m -43.9 150.3 0.59 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.614 0.721 . . . . 0.0 111.161 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HA ' ' ND2' ' A' ' 48' ' ' ASN . 53.2 Cg_endo -69.8 161.83 44.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.3 t -128.62 16.38 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.655 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -108.98 131.33 55.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.096 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.03 161.8 21.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.77 142.95 49.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.703 2.268 . . . . 0.0 112.38 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -108.36 177.77 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 62.57 29.3 16.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.0 tp -64.22 149.99 46.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -169.05 156.16 7.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.547 ' CD2' HG23 ' A' ' 37' ' ' ILE . 54.7 mt -125.51 95.89 4.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ARG . 12.4 tp10 -80.5 86.53 5.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.0 t -51.49 88.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.463 ' HG3' ' CD1' ' A' ' 80' ' ' LEU . 31.3 mmt180 -59.19 -49.06 79.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -143.29 178.52 7.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.8 p -74.08 -6.57 48.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -127.24 -0.74 6.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.1 t -134.51 150.18 50.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.6 mt -146.27 115.82 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.1 tpp -82.88 128.87 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.8 HD12 HG21 ' A' ' 56' ' ' ILE . 3.8 mt -103.02 118.1 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -110.75 116.76 31.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.598 ' CH2' HD11 ' A' ' 56' ' ' ILE . 43.8 p90 -129.97 179.64 5.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.465 ' O ' ' CB ' ' A' ' 22' ' ' PRO . 28.1 mt-30 -147.65 153.59 43.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 143.65 51.58 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.391 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 171.03 15.24 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.329 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.78 153.14 23.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -34.52 14.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.264 . . . . 0.0 112.321 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.36 -32.49 74.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.655 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 8.5 p -79.37 -29.25 42.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -57.5 145.99 31.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' A' ' 18' ' ' PRO . 40.1 m-20 -116.47 -18.97 10.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -151.77 -136.69 2.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.436 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -120.66 128.99 53.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.809 0.337 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.1 mt -76.82 121.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.3 p -101.08 -32.37 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.95 169.33 42.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.406 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 48.4 m-85 -117.33 155.94 28.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.409 . . . . 0.0 110.93 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -119.64 105.61 11.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.8 HG21 HD12 ' A' ' 37' ' ' ILE . 12.8 mt -97.07 124.49 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -127.45 150.18 49.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.502 ' CD1' ' N ' ' A' ' 58' ' ' TYR . 0.8 OUTLIER -149.88 161.82 41.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -151.27 176.27 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 61' ' ' ALA . 73.1 mttt -98.45 126.61 44.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' LYS . . . -35.54 -53.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.6 m -71.73 -46.09 59.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -104.34 73.39 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -68.6 -42.75 77.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -42.96 -44.76 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.83 109.27 7.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.8 t -125.43 143.48 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.405 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 15.4 m -108.4 135.44 49.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -98.4 122.66 41.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.2 m -127.46 101.24 6.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.501 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -88.4 126.66 35.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.501 ' N ' HD13 ' A' ' 71' ' ' LEU . 30.1 m -115.84 -176.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.7 t -86.9 162.71 17.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.92 -55.66 15.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.0 t -64.11 -11.84 33.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.721 0.296 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -82.84 115.32 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.1 mt -110.69 17.14 20.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.5 p -147.05 147.32 30.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -153.46 142.06 20.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.463 ' CD1' ' HG3' ' A' ' 30' ' ' ARG . 16.2 tp -107.07 125.02 50.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 30.4 mm -107.84 93.66 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.073 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -91.21 161.01 15.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.94 40.46 5.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.4 mt -106.49 -175.6 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.317 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -118.39 140.04 50.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -70.69 160.57 32.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.93 46.22 5.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 45.0 m -143.02 123.92 14.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.308 . . . . 0.0 111.182 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.77 132.71 49.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -128.1 143.18 51.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.469 ' O ' ' CB ' ' A' ' 58' ' ' TYR . 3.3 m120 -103.06 134.71 46.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -132.91 150.57 52.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.445 ' NH2' ' NE1' ' A' ' 108' ' ' TRP . 3.4 ptp180 -156.95 138.05 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.654 HG22 HG12 ' A' ' 56' ' ' ILE . 70.0 t -114.68 139.21 41.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.4 141.96 48.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.42 142.02 28.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.662 ' CD2' HG22 ' A' ' 102' ' ' THR . 5.3 mt -119.22 138.23 53.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 74.2 p -130.91 -179.34 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.1 tp -58.63 -33.95 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -68.36 -20.32 64.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 140.08 -137.4 8.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.662 HG22 ' CD2' ' A' ' 97' ' ' LEU . 45.3 p -89.99 167.57 12.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.152 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -122.38 -169.71 13.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.449 ' HG3' ' C ' ' A' ' 20' ' ' ALA . 54.1 Cg_endo -69.75 163.13 39.4 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.37 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.43 141.68 47.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 94' ' ' VAL . 68.3 p -70.58 138.19 50.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.59 138.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.445 ' NE1' ' NH2' ' A' ' 93' ' ' ARG . 54.3 m95 -54.0 106.11 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.3 tp -97.26 113.21 24.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 58.8 p -87.25 140.53 29.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.436 ' HB2' HD12 ' A' ' 27' ' ' LEU . . . -142.18 130.47 22.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -101.48 114.96 29.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.1 p -61.25 172.08 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.198 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 116' ' ' SER . 45.8 m-85 -85.0 123.98 31.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -38.62 -27.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 114' ' ' PHE . 8.1 t -163.34 -179.84 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.95 86.33 4.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 118' ' ' LEU . 2.9 mm? -127.51 77.94 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -130.26 96.15 4.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -130.25 36.62 3.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.7 p -134.76 174.04 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -136.17 118.67 15.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 123' ' ' VAL . 7.8 p -55.2 121.6 37.77 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.718 . . . . 0.0 111.148 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 172.59 12.43 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.314 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -105.22 166.91 10.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.9 t -107.93 -57.56 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 t -174.81 173.21 2.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -132.01 146.55 18.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.84 63.72 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.705 2.27 . . . . 0.0 112.294 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 25.1 p -106.83 173.45 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 84.9 p -124.13 172.89 8.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -45.81 142.62 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -91.85 174.21 7.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.73 -96.11 2.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m 51.82 42.62 30.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -67.57 142.58 56.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.72 170.83 37.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.436 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -156.89 121.06 4.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 p -171.71 139.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.77 134.32 31.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.445 ' H ' HG22 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -71.42 89.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -130.45 45.68 2.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.2 m -93.74 140.02 30.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.3 mt -102.28 98.47 8.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.7 p -118.68 161.45 20.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' VAL . 2.5 m-20 -78.56 -43.43 26.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -37.05 151.92 0.12 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.658 0.742 . . . . 0.0 111.141 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.72 67.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.357 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -122.33 35.59 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.694 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -124.32 128.27 48.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 104' ' ' PRO . . . -111.9 155.26 43.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.076 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 136.07 32.11 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.698 2.266 . . . . 0.0 112.329 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -104.41 178.97 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 61.77 27.6 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.0 tp -58.23 153.71 14.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -173.36 161.83 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.809 HD23 HG23 ' A' ' 37' ' ' ILE . 9.3 mt -134.42 103.39 5.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.81 92.02 8.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.76 94.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.499 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 19.8 mmm180 -71.53 -46.8 58.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 30' ' ' ARG . 6.2 m120 -138.66 -176.64 4.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.2 p -82.67 -18.78 39.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -114.6 2.84 14.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.6 p -142.72 144.9 32.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.1 mt -140.75 135.15 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.5 tpp -98.81 138.7 35.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.809 HG23 HD23 ' A' ' 27' ' ' LEU . 2.0 mt -111.23 133.88 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -125.9 115.74 20.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.844 ' CH2' HD11 ' A' ' 56' ' ' ILE . 34.5 p90 -134.04 168.28 19.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -127.91 152.4 77.22 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.578 0.704 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 143.21 49.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.732 2.288 . . . . 0.0 112.281 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.486 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 53.8 Cg_endo -69.77 166.74 26.57 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.629 2.219 . . . . 0.0 112.353 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.45 153.31 20.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -29.54 23.79 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.8 -39.61 73.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.694 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 3.5 p -69.99 -40.07 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -51.39 151.52 2.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -125.46 31.15 5.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.0 -171.69 28.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.529 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -83.47 136.06 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.8 mt -80.35 140.89 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.9 p -109.24 -27.22 9.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.72 169.63 36.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -114.07 157.9 21.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.976 0.417 . . . . 0.0 110.916 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -116.96 97.98 6.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.844 HD11 ' CH2' ' A' ' 39' ' ' TRP . 29.5 mt -92.99 102.19 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.163 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -112.07 127.14 55.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.521 ' CZ ' ' HB ' ' A' ' 68' ' ' THR . 10.6 p90 -125.46 161.32 27.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -164.05 150.79 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 90' ' ' TYR . 13.8 mtmt -75.38 144.91 42.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.7 79.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.0 m -74.51 -47.65 31.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -107.56 71.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -61.7 -50.89 70.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 t -40.7 -41.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -73.21 105.51 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 58' ' ' TYR . 2.1 t -128.53 149.48 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.521 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 21.8 m -120.63 133.31 55.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -93.2 130.68 38.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.1 m -132.93 103.11 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.602 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.5 OUTLIER -85.73 135.26 33.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.602 ' N ' HD13 ' A' ' 71' ' ' LEU . 28.7 m -122.83 -179.16 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.1 m -84.87 147.65 26.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.55 -40.27 69.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.9 t -86.48 15.36 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.308 . . . . 0.0 111.175 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -101.09 124.73 47.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.1 mt -112.87 8.67 18.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 75.9 p -139.1 161.68 36.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -167.68 133.38 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.5 tp -99.89 110.59 22.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 48.3 mm -91.57 100.05 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -94.01 166.72 12.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.47 51.63 3.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.442 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.3 mt -120.3 173.83 6.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.792 0.33 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -104.44 163.5 12.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 87' ' ' GLY . 16.5 ptt180 -89.27 162.16 16.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 86' ' ' ARG . . . 35.36 54.87 0.97 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.406 HG21 ' HD3' ' A' ' 60' ' ' LYS . 27.9 m -149.88 134.58 17.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.724 0.297 . . . . 0.0 111.104 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -70.28 141.97 52.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.588 ' CE1' ' HG3' ' A' ' 60' ' ' LYS . 29.8 m-85 -135.05 137.54 43.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -97.22 136.19 38.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 98.9 m-85 -134.18 141.37 47.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.447 ' NE ' ' CZ2' ' A' ' 108' ' ' TRP . 23.5 ptt180 -149.16 137.82 21.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.9 t -114.71 143.78 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -143.44 147.21 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.22 142.49 27.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.562 ' CD2' HG23 ' A' ' 102' ' ' THR . 9.1 mt -119.5 133.6 55.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 62.1 p -136.49 174.77 10.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 tt -59.23 -20.14 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -80.75 -9.29 59.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 127.2 -138.68 10.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.562 HG23 ' CD2' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -95.69 151.32 19.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 111.143 -179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -104.9 -169.93 24.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.479 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.7 157.86 59.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.96 138.03 51.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 107' ' ' ASP . 71.7 p -70.13 135.16 48.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.173 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.1 OUTLIER -33.97 141.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.447 ' CZ2' ' NE ' ' A' ' 93' ' ' ARG . 45.3 m95 -62.43 103.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.3 tp -94.45 116.71 29.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.4 m -88.74 143.99 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -140.97 132.42 26.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -99.01 113.47 25.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.44 166.14 4.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.147 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -78.45 127.6 32.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -46.46 -21.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.0 t -160.04 160.64 33.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 118' ' ' LEU . 77.6 m-20 -51.92 -40.52 60.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 117' ' ' ASP . 17.4 mt -35.97 117.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -147.28 121.73 9.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -93.46 142.82 26.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 39.8 m -98.58 135.32 40.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -120.75 154.37 35.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 12.6 t -119.03 129.37 25.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 162.05 43.57 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.306 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -112.75 163.81 14.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 94.0 t -91.89 135.94 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 t -103.41 168.55 9.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -129.01 164.18 22.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 157.96 58.65 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.704 2.269 . . . . 0.0 112.382 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 27.8 t -96.25 -55.47 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 56.6 p -135.03 176.62 8.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -156.36 155.5 32.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.0 110.886 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -173.02 154.53 2.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.2 123.06 0.87 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 m -135.77 154.87 51.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.832 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 t -142.8 127.85 18.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.34 39.02 2.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -128.91 123.23 32.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.8 m -80.73 131.17 34.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.67 112.73 1.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.3 p -159.88 135.58 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -115.34 -59.34 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.7 m -114.52 144.93 42.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.65 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.9 pp -174.34 110.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.9 p -175.03 168.93 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -73.17 -50.0 25.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -38.48 155.11 0.13 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 146.12 59.15 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 t -123.82 39.13 4.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 42' ' ' PRO . . . -124.08 110.41 14.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.619 ' HB2' ' HB2' ' A' ' 104' ' ' PRO . . . -94.85 158.47 35.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 111.075 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.524 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.3 Cg_endo -69.75 138.84 38.8 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -103.53 -176.29 3.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 47.9 41.44 14.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.464 HD22 ' HB ' ' A' ' 106' ' ' THR . 42.9 tp -67.46 157.24 34.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.405 ' N ' ' HG ' ' A' ' 25' ' ' LEU . 3.7 m -173.03 159.65 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.739 HD23 HG23 ' A' ' 37' ' ' ILE . 9.0 mt -128.54 104.98 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' ARG . 10.6 tp10 -85.67 81.79 8.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.6 t -52.91 88.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' GLU . 52.8 mmm-85 -57.59 -55.02 40.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -135.12 -177.62 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.6 p -75.03 -29.72 60.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -100.79 -15.3 17.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.8 p -120.99 139.67 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.669 HD12 HD13 ' A' ' 84' ' ' LEU . 90.8 mt -135.43 112.31 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.524 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 4.4 ttm -82.29 144.14 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.739 HG23 HD23 ' A' ' 27' ' ' LEU . 5.8 mt -116.49 133.1 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.524 ' CD2' ' HG2' ' A' ' 36' ' ' MET . 81.4 m-70 -125.54 121.47 33.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.809 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.789 ' CH2' HD11 ' A' ' 56' ' ' ILE . 39.2 p90 -138.65 156.11 47.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -112.21 148.45 39.12 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 144.48 54.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.452 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 54.0 Cg_endo -69.8 168.98 20.05 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.11 150.67 19.72 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 0.0 111.055 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -39.74 6.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.53 -45.63 91.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.8 p -64.28 -34.08 77.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -58.26 117.53 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -79.35 -30.54 42.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.7 178.16 28.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -72.25 127.9 34.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.631 ' HA ' HG22 ' A' ' 98' ' ' THR . 89.4 mt -71.22 149.63 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 39.5 p -117.82 -41.56 2.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.29 176.74 39.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.403 ' CD2' ' NE1' ' A' ' 39' ' ' TRP . 2.6 m-85 -124.57 140.33 53.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.977 0.418 . . . . 0.0 110.868 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -101.2 101.35 12.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.789 HD11 ' CH2' ' A' ' 39' ' ' TRP . 30.1 mt -98.1 108.36 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -109.78 136.79 48.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.453 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 51.1 p90 -137.46 138.51 39.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.517 ' NE ' ' CH2' ' A' ' 108' ' ' TRP . 11.3 ptp180 -126.95 -179.91 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -100.74 139.22 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.26 -50.79 71.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.9 t -47.84 -33.36 7.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -145.17 112.38 6.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.99 1.58 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -85.52 -41.08 15.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.9 98.95 2.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.414 ' HB ' ' HB3' ' A' ' 59' ' ' ARG . 1.9 p -129.05 134.73 63.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.8 m -114.59 144.77 42.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -99.6 147.78 25.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.0 m -146.03 117.62 8.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.8 tp -94.5 153.8 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.6 m -147.66 175.24 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 t -80.19 154.71 27.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.63 -54.7 35.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 t -66.2 -12.11 54.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.701 0.286 . . . . 0.0 111.09 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -81.19 110.73 16.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.4 mt -105.68 25.64 10.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.8 p -153.3 148.8 27.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 80' ' ' LEU . 5.9 tp-100 -149.26 139.85 22.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.482 ' N ' ' OE1' ' A' ' 79' ' ' GLN . 28.4 tp -108.52 109.35 20.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.4 mm -97.28 107.28 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -103.52 165.86 10.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.92 42.28 5.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.669 HD13 HD12 ' A' ' 35' ' ' ILE . 4.5 mt -116.52 169.8 9.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -101.98 149.25 24.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -76.08 162.99 27.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.4 51.56 7.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 34.1 m -147.15 130.58 16.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.757 0.313 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -74.11 131.17 41.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -125.65 148.6 48.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.48 139.72 44.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 95.1 m-85 -135.1 152.92 52.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.706 HH21 ' HB2' ' A' ' 105' ' ' ALA . 11.4 ptm180 -154.29 131.83 11.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.522 HG22 HG12 ' A' ' 56' ' ' ILE . 71.4 t -111.5 140.6 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -143.06 144.86 32.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -87.64 144.65 26.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.4 mt -122.91 134.63 54.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.631 HG22 ' HA ' ' A' ' 51' ' ' ILE . 63.3 p -133.44 173.21 11.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 16.9 tt -51.55 -37.08 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -57.42 -24.08 53.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.15 -101.81 0.28 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.446 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.2 p -120.87 176.97 5.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 111.139 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -134.83 -173.8 13.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.619 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 53.9 Cg_endo -69.79 152.95 69.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.371 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.706 ' HB2' HH21 ' A' ' 93' ' ' ARG . . . -114.8 147.98 39.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.476 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 67.8 p -74.66 133.55 42.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.38 138.6 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.517 ' CH2' ' NE ' ' A' ' 59' ' ' ARG . 38.7 m95 -51.36 104.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.1 tp -98.74 112.63 24.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.3 m -81.67 147.65 29.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.88 130.26 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.044 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -99.62 122.26 42.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.576 HG23 HD11 ' A' ' 35' ' ' ILE . 1.4 p -68.92 170.72 9.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -84.0 121.39 27.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -38.16 -37.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.9 m -149.61 174.62 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -66.59 -37.53 85.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.505 ' H ' HD12 ' A' ' 118' ' ' LEU . 6.1 mp -57.4 114.85 2.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -168.13 123.51 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -90.26 148.55 22.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.9 t -116.11 139.55 50.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.16 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -118.83 165.68 13.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 123' ' ' VAL . 8.4 p -149.38 125.58 5.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.62 0.724 . . . . 0.0 111.142 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -176.85 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.287 . . . . 0.0 112.33 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -130.41 176.2 8.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.2 p -173.8 142.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 45.0 m -130.61 172.59 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 177.5 83.59 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -171.22 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.311 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.8 m 62.58 48.91 4.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.5 m -49.96 -56.78 9.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -166.99 147.75 5.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 0.0 110.875 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -162.86 176.42 10.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.45 112.42 0.66 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -169.22 126.75 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.871 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.3 t -173.7 170.32 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.94 119.31 3.31 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.469 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.75 111.83 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 110.845 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.0 t -144.51 137.57 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.097 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.54 137.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t -151.35 132.56 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -113.03 99.06 7.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.4 m -83.44 141.75 31.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.163 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.1 mt -92.34 50.0 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.3 m -146.95 151.99 37.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.41 -55.5 10.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.2 m -61.28 153.04 70.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.721 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 141.77 46.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.4 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -116.03 58.8 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.484 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -148.47 124.16 10.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.69 158.0 33.81 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.582 0.706 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.78 132.4 23.22 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.727 2.285 . . . . 0.0 112.301 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -100.92 -177.26 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 51.41 36.59 16.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.485 HD12 ' H ' ' A' ' 26' ' ' SER . 61.8 tp -63.2 157.54 22.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.485 ' H ' HD12 ' A' ' 25' ' ' LEU . 5.3 p -167.92 152.95 6.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.64 HD23 HG23 ' A' ' 37' ' ' ILE . 19.7 mt -125.0 95.69 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -81.35 91.46 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.35 89.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -61.33 -52.11 66.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -134.34 177.95 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 93.8 p -75.61 -20.01 58.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' LEU . 16.9 ptmt -109.8 -14.79 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 p -123.81 143.92 50.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.573 HD11 HG23 ' A' ' 113' ' ' THR . 94.1 mt -135.23 117.47 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.547 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 5.0 ttm -84.28 135.06 34.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.684 HD12 HG21 ' A' ' 56' ' ' ILE . 10.4 mt -108.74 127.5 65.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.547 ' CD2' ' HG2' ' A' ' 36' ' ' MET . 86.8 m-70 -119.56 123.97 45.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.572 ' CH2' HD11 ' A' ' 56' ' ' ILE . 42.2 p90 -139.71 174.36 10.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -131.58 153.58 81.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.603 0.716 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.42 45.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.319 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 170.32 16.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.06 152.83 48.91 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.558 0.695 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -46.62 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.22 -50.47 20.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.043 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.459 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 35.0 p -64.14 -46.14 85.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -45.24 122.17 3.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -100.64 35.11 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 157.09 -138.05 5.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.512 ' O ' HG22 ' A' ' 98' ' ' THR . 15.5 tt0 -124.24 138.91 54.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.759 0.314 . . . . 0.0 110.915 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.557 HD13 ' OH ' ' A' ' 54' ' ' TYR . 76.7 mt -78.52 127.74 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.1 p -104.14 -38.6 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.49 ' C ' HD12 ' A' ' 97' ' ' LEU . . . -164.96 170.63 40.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.557 ' OH ' HD13 ' A' ' 51' ' ' ILE . 92.9 m-85 -122.24 142.1 50.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.42 . . . . 0.0 110.929 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.58 ' HE3' HD21 ' A' ' 97' ' ' LEU . 15.2 ttmt -105.82 100.98 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.684 HG21 HD12 ' A' ' 37' ' ' ILE . 65.3 mt -96.72 113.03 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -115.01 137.79 51.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.589 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 53.3 p90 -135.49 140.5 44.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.3 ptt85 -128.78 177.91 6.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -100.29 137.91 38.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.79 -45.94 64.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -86.18 -52.6 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -93.45 47.64 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -41.7 -40.87 2.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.5 t -46.71 -43.99 18.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -75.46 95.33 3.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.7 p -127.0 139.74 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.9 m -113.48 146.45 39.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -104.67 131.66 51.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.9 m -120.11 142.7 48.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.168 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.737 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.5 OUTLIER -122.54 135.41 54.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.737 ' N ' HD13 ' A' ' 71' ' ' LEU . 34.7 m -128.06 178.84 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 m -80.88 167.38 19.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.6 -57.45 7.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.3 t -60.68 -24.76 65.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.705 0.288 . . . . 0.0 111.131 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -70.48 114.24 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.7 mt -105.18 27.57 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.534 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 35.3 m -164.31 152.61 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.518 ' HB2' HG11 ' A' ' 72' ' ' VAL . 32.5 tp60 -143.83 160.82 40.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.9 tp -120.69 108.07 13.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.0 mm -95.55 99.96 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -97.94 165.17 12.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.38 49.39 3.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' LYS . 8.6 mt -120.3 -178.3 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.788 0.328 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -115.66 147.01 41.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -73.69 162.06 29.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 42.96 49.41 6.25 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.6 m -146.38 126.54 13.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 111.166 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -69.9 142.98 52.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -143.06 137.82 29.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.51 153.07 18.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 68.1 m-85 -148.68 151.22 34.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.584 ' HD2' ' CZ2' ' A' ' 108' ' ' TRP . 14.5 ptm180 -151.74 126.57 9.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.51 HG22 HG12 ' A' ' 56' ' ' ILE . 84.5 t -102.91 130.17 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.71 148.18 51.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.054 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.426 ' HA ' ' CD1' ' A' ' 54' ' ' TYR . . . -90.5 151.53 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.58 HD21 ' HE3' ' A' ' 55' ' ' LYS . 6.4 mt -128.76 140.29 51.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 50' ' ' GLN . 72.8 p -141.82 179.53 6.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.4 tt -60.29 -31.37 48.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -67.23 -18.97 65.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.33 -122.23 2.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.428 HG22 ' CD2' ' A' ' 97' ' ' LEU . 20.9 p -107.41 165.53 11.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 111.175 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -124.69 -173.9 13.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.484 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.7 Cg_endo -69.76 160.55 49.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.413 ' HB3' HH21 ' A' ' 93' ' ' ARG . . . -114.27 -179.54 3.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 107' ' ' ASP . 69.5 p -104.79 132.97 50.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.477 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.3 OUTLIER -32.0 130.63 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.584 ' CZ2' ' HD2' ' A' ' 93' ' ' ARG . 31.1 m95 -47.33 98.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.2 tp -96.23 116.14 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 81.5 p -88.11 151.74 22.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -148.34 130.37 15.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -98.25 119.56 37.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.573 HG23 HD11 ' A' ' 35' ' ' ILE . 1.1 p -65.07 168.07 7.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -74.16 112.19 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -45.46 -24.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 118' ' ' LEU . 1.3 t -153.08 132.36 12.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.12 88.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 116' ' ' SER . 41.7 mt -122.22 117.27 25.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -72.38 111.05 7.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -111.46 142.89 43.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 87.3 m -107.43 114.29 28.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -169.84 137.41 1.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.534 HG13 ' HD2' ' A' ' 124' ' ' PRO . 66.7 t -146.93 135.84 11.27 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.685 0.755 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.534 ' HD2' HG13 ' A' ' 123' ' ' VAL . 54.0 Cg_endo -69.74 -174.0 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -167.14 115.34 0.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 89.5 t -127.5 134.08 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.4 p -160.08 130.65 5.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 140.73 75.46 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -178.88 2.56 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.32 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 72.2 p -171.98 128.83 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.0 t -97.67 -49.81 4.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.43 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.3 p -111.06 139.05 46.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.3 p -134.85 161.7 34.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.86 87.12 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -114.91 -61.9 1.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.37 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -174.93 172.84 2.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.26 40.33 2.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 41.2 42.68 1.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.353 . . . . 0.0 110.821 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.3 m -87.39 41.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.44 171.13 9.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.39 99.4 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 13' ' ' THR . 49.3 mtt180 -45.65 -51.05 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' ARG . 28.4 m -37.6 143.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.508 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -122.64 94.48 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.412 ' HB3' HG22 ' A' ' 17' ' ' VAL . 5.4 m -120.12 143.79 47.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -46.87 -51.67 16.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.412 HG22 ' HB3' ' A' ' 15' ' ' SER . 14.6 m -42.75 153.49 0.32 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 0.0 111.089 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 149.09 66.51 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.647 2.232 . . . . 0.0 112.353 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 t -124.26 41.8 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.452 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -131.73 124.68 30.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.501 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.95 157.74 35.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.545 0.688 . . . . 0.0 111.099 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.73 140.81 43.72 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.373 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -108.23 -175.78 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 49.85 40.33 20.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -66.25 148.81 51.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -162.26 156.29 21.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 mt -128.88 102.06 6.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -88.01 79.19 8.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.9 102.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -70.02 -51.13 34.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -135.46 -175.09 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.563 ' O ' HG21 ' A' ' 113' ' ' THR . 48.8 p -79.18 -27.81 42.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -0.49 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.0 m -135.5 154.0 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -146.63 126.25 5.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.53 ' HE3' ' C ' ' A' ' 79' ' ' GLN . 5.7 tpt -89.79 138.75 31.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.505 ' CD1' HG21 ' A' ' 56' ' ' ILE . 9.7 mt -115.83 117.82 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.424 ' NE2' ' HG2' ' A' ' 36' ' ' MET . 91.3 m-70 -114.17 121.98 45.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.605 ' CH2' HD11 ' A' ' 56' ' ' ILE . 38.7 p90 -140.11 167.29 22.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -125.95 154.74 73.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.635 0.731 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 144.5 54.18 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 169.77 18.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.62 149.29 31.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 111.124 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -46.84 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.648 2.232 . . . . 0.0 112.295 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.25 -32.89 17.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' GLN . 36.1 p -81.15 -45.84 15.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' THR . 53.2 mt-30 -34.38 133.36 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -112.44 36.7 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.37 -163.84 26.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -92.75 130.12 38.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.744 0.306 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.8 mt -77.18 128.16 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.077 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.6 p -93.98 -42.69 8.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -167.26 175.64 42.33 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -116.59 138.54 51.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.943 0.401 . . . . 0.0 110.927 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.786 ' HE2' HD21 ' A' ' 97' ' ' LEU . 16.2 ttmm -103.24 92.45 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.738 HG12 HG22 ' A' ' 94' ' ' VAL . 53.8 mt -89.72 124.56 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -125.96 143.68 50.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.574 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 13.4 p90 -140.67 156.58 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -148.72 175.16 11.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -96.84 133.61 41.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.36 -47.65 9.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 t -71.71 -55.93 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -101.73 83.41 2.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -76.09 -43.5 43.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.9 t -39.0 -42.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -82.85 110.85 18.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -124.94 147.97 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.071 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.503 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 25.7 m -109.52 138.75 45.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -97.0 139.87 32.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.2 m -137.25 118.22 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.171 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.52 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -107.17 127.8 53.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.52 ' N ' HD13 ' A' ' 71' ' ' LEU . 21.0 m -124.19 178.51 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -74.61 156.64 36.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.13 -56.25 21.57 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.8 t -65.06 -16.5 63.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 111.154 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -73.8 111.89 9.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.8 mt -104.04 28.91 6.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.0 p -150.27 152.18 34.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.551 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -152.84 131.73 12.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.898 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.551 ' N ' ' CD ' ' A' ' 79' ' ' GLN . 41.1 tp -109.52 109.9 20.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.3 mm -92.02 104.05 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -96.94 161.17 13.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.64 41.33 4.18 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mt -113.82 174.98 5.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.799 0.333 . . . . 0.0 110.933 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -113.97 160.27 19.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -84.21 160.41 20.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 47.47 51.35 16.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.41 ' HB ' ' CE2' ' A' ' 90' ' ' TYR . 31.7 m -149.98 139.14 21.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 111.161 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -85.61 142.4 29.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.41 ' CE2' ' HB ' ' A' ' 88' ' ' THR . 95.9 m-85 -142.96 137.34 29.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.415 ' CB ' ' CE3' ' A' ' 108' ' ' TRP . 0.6 OUTLIER -96.07 148.73 22.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 50.9 m-85 -142.16 154.75 45.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -152.74 137.51 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.738 HG22 HG12 ' A' ' 56' ' ' ILE . 84.1 t -111.28 136.7 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 105' ' ' ALA . . . -135.81 150.23 49.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.15 149.0 22.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.786 HD21 ' HE2' ' A' ' 55' ' ' LYS . 12.6 mt -124.19 137.04 54.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 74.5 p -136.64 170.07 16.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.0 tt -53.47 -33.32 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -65.71 -20.35 66.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 128.81 -167.36 20.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.661 ' HA ' HD23 ' A' ' 97' ' ' LEU . 17.2 p -50.56 159.4 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.824 0.345 . . . . 0.0 111.142 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -126.87 -174.41 13.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.452 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.6 Cg_endo -69.72 155.87 64.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 95' ' ' ALA . . . -121.85 154.07 37.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.462 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 74.6 p -76.43 168.7 19.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -62.1 170.95 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.415 ' CE3' ' CB ' ' A' ' 91' ' ' ASN . 22.5 m95 -87.44 93.54 9.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.0 tp -86.12 116.78 24.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 62.8 p -85.68 131.74 34.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -132.55 128.95 38.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -102.0 117.04 33.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.563 HG21 ' O ' ' A' ' 32' ' ' SER . 2.7 p -59.31 169.96 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' GLU . 63.5 m-85 -77.93 115.94 18.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' PHE . 1.6 tt0 -34.17 -38.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 114' ' ' PHE . 3.0 t -134.73 159.95 39.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.31 97.89 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.65 111.75 6.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -75.86 99.96 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -65.34 143.98 57.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 64.9 p -98.1 150.5 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -137.25 176.26 8.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.7 p -158.27 126.52 2.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 111.155 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 173.6 10.76 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.671 2.247 . . . . 0.0 112.341 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 126' ' ' VAL . 12.0 mt-10 -125.14 44.97 2.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 126' ' ' VAL . 14.3 p 32.03 45.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.0 m -42.21 -43.6 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.74 171.54 10.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 178.69 4.3 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 38.5 p -122.37 -55.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.8 m -169.04 147.79 3.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 t -140.29 142.71 35.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 110.814 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -171.59 156.51 4.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.21 151.1 6.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -166.36 131.11 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 110.816 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 t -167.78 133.12 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.58 -164.83 36.5 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 9' ' ' VAL . 30.4 p-10 -149.43 176.67 10.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 9' ' ' VAL . 13.9 p -36.78 126.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.06 168.14 26.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.9 t -92.4 133.53 33.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -120.74 106.51 11.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.4 p -142.85 131.94 23.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.2 mt -127.58 141.33 51.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.09 160.97 35.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 16' ' ' ASP . 0.4 OUTLIER -41.83 -39.85 1.9 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m -65.54 152.53 92.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 111.097 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 130.18 18.94 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.393 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.7 p -107.98 51.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.583 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -164.05 131.5 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.788 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -104.97 166.52 11.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.573 0.701 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.788 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.77 133.44 25.56 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -101.19 179.6 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 58.45 36.57 25.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.2 tp -66.46 150.61 48.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.0 m -168.07 168.89 11.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.457 HD23 HG23 ' A' ' 37' ' ' ILE . 13.4 mt -138.87 108.69 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.7 tp10 -91.74 83.91 5.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.4 t -52.28 88.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.102 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' GLU . 23.2 mmm180 -58.39 -54.36 47.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -136.89 -176.04 4.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.607 ' O ' HG21 ' A' ' 113' ' ' THR . 59.9 p -74.73 -21.93 59.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -114.42 -6.59 12.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 p -125.35 133.46 52.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.521 HD12 HD13 ' A' ' 84' ' ' LEU . 92.2 mt -133.66 115.6 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.415 ' HG2' ' NE2' ' A' ' 38' ' ' HIS . 1.7 ttm -86.71 147.1 26.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.457 HG23 HD23 ' A' ' 27' ' ' LEU . 12.5 mt -114.46 144.47 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.415 ' NE2' ' HG2' ' A' ' 36' ' ' MET . 90.4 m-70 -135.05 114.92 12.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.889 ' CH2' HD11 ' A' ' 56' ' ' ILE . 38.8 p90 -133.57 171.56 13.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -129.39 154.49 80.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.536 0.684 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.31 50.55 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.377 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.97 17.67 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.372 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.16 149.57 24.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.54 0.686 . . . . 0.0 111.058 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -38.28 7.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.636 2.224 . . . . 0.0 112.39 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.75 -25.9 67.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.583 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 39.9 p -95.97 21.34 8.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -112.84 74.8 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.11 -17.92 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.51 177.1 28.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -81.64 154.04 26.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.7 mt -93.53 139.35 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 76.0 p -109.5 -33.67 6.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.86 166.25 36.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.473 ' O ' HD13 ' A' ' 71' ' ' LEU . 98.6 m-85 -111.89 142.38 44.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.958 0.409 . . . . 0.0 110.926 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -101.51 95.59 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.889 HD11 ' CH2' ' A' ' 39' ' ' TRP . 36.0 mt -88.57 113.89 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -120.95 134.45 55.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.584 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 18.3 p90 -136.65 147.27 46.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -136.25 178.58 6.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 61' ' ' ALA . 32.4 mtpt -96.67 125.99 41.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 60' ' ' LYS . . . -34.68 -47.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -80.81 -48.92 11.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -98.08 88.12 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -76.25 -48.61 19.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.481 ' O ' HG23 ' A' ' 67' ' ' VAL . 47.6 m -41.72 -47.79 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -70.95 103.36 2.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 65' ' ' SER . 2.2 t -124.25 148.07 28.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 95.1 m -114.65 133.53 55.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.52 132.72 40.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.9 m -143.0 106.7 4.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.174 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 54' ' ' TYR . 3.5 mm? -86.94 156.74 19.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 54' ' ' TYR . 31.6 m -138.46 171.92 14.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 p -68.38 151.24 47.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.52 -34.04 54.77 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -93.49 1.0 56.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.71 0.29 . . . . 0.0 111.083 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.424 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 5.0 tt0 -72.25 119.49 16.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.7 mt -108.93 9.5 26.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -161.96 154.3 19.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.404 ' HB3' HD13 ' A' ' 56' ' ' ILE . 19.9 tp60 -145.81 149.04 33.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' A' ' 79' ' ' GLN . 18.7 tp -106.19 114.1 28.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.9 mm -100.87 106.63 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -104.97 160.43 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.59 48.67 2.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.521 HD13 HD12 ' A' ' 35' ' ' ILE . 2.2 mt -126.31 164.21 21.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.82 153.76 18.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.407 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 13.6 ptt180 -75.06 161.41 29.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 43.51 58.76 3.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.51 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 31.2 m -152.12 119.38 5.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.763 0.316 . . . . 0.0 111.168 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.41 139.59 58.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 88' ' ' THR . 91.6 m-85 -138.8 147.07 42.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -105.03 145.75 30.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 79.6 m-85 -142.3 138.41 31.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.556 ' HD3' ' CZ2' ' A' ' 108' ' ' TRP . 28.5 ptt180 -143.69 130.18 20.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.592 HG22 HG12 ' A' ' 56' ' ' ILE . 90.4 t -103.52 139.77 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.34 144.76 44.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.44 145.75 24.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.46 ' CD1' HD11 ' A' ' 71' ' ' LEU . 11.8 mt -125.44 140.31 52.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.9 p -139.51 172.08 13.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.1 tp -54.27 -35.61 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -63.57 -21.67 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 140.9 -139.36 9.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.426 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.8 p -89.65 169.95 10.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 111.139 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -127.62 -170.56 12.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.553 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.72 158.54 56.67 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.321 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.8 134.16 55.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.054 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 94' ' ' VAL . 70.3 p -61.59 155.85 21.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -50.42 170.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.556 ' CZ2' ' HD3' ' A' ' 93' ' ' ARG . 23.1 m95 -87.37 93.86 9.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.0 tp -89.63 119.42 30.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.8 m -92.01 144.4 25.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.65 131.76 20.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -105.3 118.08 35.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.607 HG21 ' O ' ' A' ' 32' ' ' SER . 0.8 OUTLIER -56.76 172.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 116' ' ' SER . 48.0 m-85 -84.95 116.65 23.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 114' ' ' PHE . 31.0 mt-10 -36.5 -33.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' PHE . 16.0 m -142.74 139.35 31.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -91.19 99.44 12.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.495 ' O ' ' C ' ' A' ' 119' ' ' ASP . 12.1 mt -120.06 37.58 4.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' A' ' 118' ' ' LEU . 4.9 m-20 30.79 51.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -51.73 105.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 28.3 m -110.42 147.0 34.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.29 -174.99 2.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 5.3 p -134.13 124.41 17.4 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.68 0.752 . . . . 0.0 111.054 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -179.85 3.2 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -126.8 133.22 50.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.9 p -125.12 145.1 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 37.3 t -163.87 159.13 20.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 171.62 164.1 26.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -171.81 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.653 2.235 . . . . 0.0 112.323 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 58.8 m -118.15 -64.15 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 t -132.76 170.32 15.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -171.41 174.66 4.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 p -168.02 147.35 4.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.91 175.46 14.69 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -166.58 165.17 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -154.62 171.04 20.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.07 178.51 16.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.454 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -147.53 156.59 42.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.828 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.1 t -134.13 140.02 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.6 133.26 22.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.4 t -64.97 149.59 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 13' ' ' THR . 4.5 ptp180 -117.33 -36.05 3.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.4 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 8.4 m -57.76 138.44 55.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.502 HD12 ' H ' ' A' ' 14' ' ' LEU . 6.9 mp -52.69 -51.34 60.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ASP . 16.5 m 40.22 46.04 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' SER . 9.3 p-10 -34.39 -43.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -58.56 153.87 37.68 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.67 0.747 . . . . 0.0 111.097 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 151.24 69.54 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.383 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 p -126.12 42.16 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.475 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -135.58 133.28 38.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.662 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -115.68 162.81 23.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.703 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.662 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.2 Cg_endo -69.79 134.38 27.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.64 2.227 . . . . 0.0 112.343 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -97.67 -174.92 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 43.28 49.33 5.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.7 tp -70.78 152.08 44.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -163.23 161.28 24.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.667 HD23 HG23 ' A' ' 37' ' ' ILE . 19.8 mt -133.2 101.88 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -82.6 91.45 6.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.87 90.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.457 ' HG3' ' CD1' ' A' ' 80' ' ' LEU . 14.3 mmm180 -60.47 -54.26 47.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -136.04 -175.61 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.444 ' O ' HG21 ' A' ' 113' ' ' THR . 54.3 p -74.73 -29.36 61.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -103.28 -16.54 15.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 p -115.84 139.87 49.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.72 HD12 HD13 ' A' ' 84' ' ' LEU . 91.6 mt -136.75 107.49 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.5 ttm -79.12 139.93 37.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.849 ' CD1' HG21 ' A' ' 56' ' ' ILE . 15.2 mt -107.89 142.54 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -133.83 115.97 15.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.694 ' CH2' HD11 ' A' ' 56' ' ' ILE . 42.9 p90 -132.33 164.54 26.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -118.31 152.82 51.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.69 48.59 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.722 2.281 . . . . 0.0 112.319 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 171.06 15.1 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.384 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.83 147.91 29.84 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.556 0.693 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -30.11 22.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.19 -52.76 24.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.155 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.421 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 43.3 p -56.79 -37.99 71.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -39.06 142.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -125.71 35.65 4.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 137.1 176.19 14.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -70.46 135.69 48.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 0.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.2 mt -80.91 121.33 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.8 p -85.08 -44.73 12.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.494 ' C ' HD12 ' A' ' 97' ' ' LEU . . . -164.95 167.36 38.62 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.547 ' O ' HG22 ' A' ' 72' ' ' VAL . 39.0 m-85 -112.06 129.19 56.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.94 0.4 . . . . 0.0 110.908 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.508 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 2.6 tptp -92.42 126.2 37.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.849 HG21 ' CD1' ' A' ' 37' ' ' ILE . 19.0 mt -123.36 121.31 62.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -119.23 152.56 36.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.506 ' CZ ' ' HB ' ' A' ' 68' ' ' THR . 49.5 p90 -156.96 140.56 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.741 ' HB3' HG22 ' A' ' 67' ' ' VAL . 20.7 ptt180 -136.26 174.43 10.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.41 ' HG2' ' CE1' ' A' ' 90' ' ' TYR . 28.8 mtpt -87.96 140.91 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.48 99.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.8 t -74.1 -59.58 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -58.55 -46.77 86.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm 43.99 25.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -132.83 -33.09 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -93.46 110.78 22.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.741 HG22 ' HB3' ' A' ' 59' ' ' ARG . 2.7 t -120.89 153.41 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.506 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 30.1 m -123.44 136.82 54.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.27 144.62 25.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.2 m -138.47 132.05 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.7 OUTLIER -116.55 130.19 56.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.83 ' N ' HD13 ' A' ' 71' ' ' LEU . 33.3 m -123.93 169.18 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.5 m -69.29 154.55 41.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.76 -50.4 63.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -83.52 33.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.728 0.299 . . . . 0.0 111.119 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -117.82 108.41 15.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.4 mt -102.08 31.34 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.6 p -159.63 160.58 34.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -162.54 153.59 17.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.457 ' CD1' ' HG3' ' A' ' 30' ' ' ARG . 22.2 tp -120.84 110.79 16.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.7 mm -98.18 105.09 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -102.26 163.3 12.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.25 43.09 4.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.444 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.72 HD13 HD12 ' A' ' 35' ' ' ILE . 6.8 mt -120.29 166.09 13.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -94.33 148.23 22.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -74.31 163.22 28.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 39.48 55.48 2.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.6 m -144.87 140.79 28.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.306 . . . . 0.0 111.129 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -81.68 128.94 34.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.41 ' CE1' ' HG2' ' A' ' 60' ' ' LYS . 67.1 m-85 -131.17 146.45 52.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -104.83 145.01 30.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -139.66 153.57 47.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -156.02 133.19 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.522 HG11 ' CG ' ' A' ' 39' ' ' TRP . 64.9 t -103.2 145.54 12.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.508 ' HB3' ' HB3' ' A' ' 55' ' ' LYS . . . -140.92 152.7 45.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.7 151.36 22.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.494 HD12 ' C ' ' A' ' 53' ' ' GLY . 6.8 mt -129.95 138.99 51.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -137.4 170.68 15.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 100' ' ' ASN . 9.0 tt -50.24 -40.1 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.406 ' N ' HG23 ' A' ' 99' ' ' ILE . 45.5 m-80 -56.18 -25.43 46.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.26 -130.03 4.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.464 HG23 ' CD2' ' A' ' 97' ' ' LEU . 2.0 m -94.91 151.86 18.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.822 0.344 . . . . 0.0 111.144 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -109.67 -176.54 21.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.501 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.475 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.3 Cg_endo -69.81 161.28 46.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.692 2.262 . . . . 0.0 112.337 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.77 141.34 51.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.3 p -66.04 167.09 10.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.24 177.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -87.5 96.81 10.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.1 tp -92.9 114.8 27.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.6 t -85.65 157.62 20.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.93 128.69 10.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -97.99 117.08 31.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.444 HG21 ' O ' ' A' ' 32' ' ' SER . 2.9 p -66.76 167.84 10.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 115' ' ' GLU . 50.5 m-85 -82.52 113.67 20.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 114' ' ' PHE . 22.5 mt-10 -34.56 -38.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 t -144.65 178.31 8.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -77.52 83.22 3.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.0 tp -115.4 94.67 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -74.01 99.91 3.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.827 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -99.88 167.88 10.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.6 t -161.98 141.02 9.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.108 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 11.4 ptp85 -138.54 170.08 16.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 16.2 m -111.41 133.31 21.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 111.106 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -173.95 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -122.77 162.43 22.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 90.0 t -130.23 146.47 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.18 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.1 m -129.12 177.73 6.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -123.85 169.36 15.98 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.426 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 173.71 10.59 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 131' ' ' SER . 47.3 m -115.9 -57.74 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.863 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 130' ' ' SER . 3.0 t -36.31 145.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -110.07 173.99 6.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.873 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -138.86 111.26 7.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.14 -179.84 16.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 6' ' ' SER . 37.0 p -89.18 -55.61 3.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 110.838 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 5' ' ' SER . 2.8 t 37.73 42.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.67 -167.67 13.68 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -110.75 41.86 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 10' ' ' ALA . 87.9 t -72.19 99.58 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 9' ' ' VAL . . . -35.19 122.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.518 HG22 ' N ' ' A' ' 12' ' ' ARG . 11.0 p -138.5 161.65 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.518 ' N ' HG22 ' A' ' 11' ' ' VAL . 30.2 mmt180 -103.99 -65.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.2 p -100.48 163.64 12.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.3 mt -98.59 90.12 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.1 p -162.03 177.65 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.16 65.33 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.23 161.47 29.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 137.26 34.92 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 t -117.5 35.97 4.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -131.65 135.74 47.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.667 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -119.87 162.78 31.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.712 . . . . 0.0 111.113 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.667 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.72 130.07 18.74 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.746 2.297 . . . . 0.0 112.309 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -99.11 -175.18 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 53.93 41.83 31.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.3 141.45 58.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 m -155.65 156.97 35.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.456 HD23 HG23 ' A' ' 37' ' ' ILE . 12.9 mt -131.98 102.01 5.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -89.98 76.65 7.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.9 t -48.62 99.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.474 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 14.1 mmm180 -68.06 -49.4 61.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.45 ' OD1' ' C ' ' A' ' 30' ' ' ARG . 4.3 m-20 -134.21 -175.44 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.506 ' O ' HG21 ' A' ' 113' ' ' THR . 86.3 p -78.67 -23.27 45.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.533 ' O ' HD12 ' A' ' 84' ' ' LEU . 5.3 ptpp? -106.79 -19.58 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 p -115.59 148.05 40.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.5 mt -139.32 126.09 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.506 ' HE3' ' C ' ' A' ' 79' ' ' GLN . 5.6 tpt -90.57 136.32 33.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.518 ' CD1' HG21 ' A' ' 56' ' ' ILE . 6.4 mt -112.0 128.6 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -124.61 119.13 28.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.431 ' CH2' HD11 ' A' ' 56' ' ' ILE . 36.1 p90 -137.85 166.38 24.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -119.86 150.2 50.19 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.579 0.704 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 144.94 55.33 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 171.42 14.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.41 149.42 20.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.565 0.697 . . . . 0.0 111.14 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -23.86 30.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.71 -36.08 29.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 47' ' ' GLN . 49.1 p -81.49 -35.61 30.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 46' ' ' THR . 19.9 mt-30 -28.98 -42.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 46' ' ' THR . 25.3 t-20 63.78 35.59 11.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 129.16 -179.64 16.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -83.72 139.33 32.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.609 HG21 ' CE1' ' A' ' 54' ' ' TYR . 46.2 mt -87.13 142.83 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.6 p -110.16 -41.98 4.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.455 ' C ' HD12 ' A' ' 97' ' ' LEU . . . -165.01 168.29 39.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.501 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.609 ' CE1' HG21 ' A' ' 51' ' ' ILE . 2.2 m-85 -118.52 137.27 53.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.93 0.395 . . . . 0.0 110.939 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -99.73 94.21 6.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.518 HG21 ' CD1' ' A' ' 37' ' ' ILE . 59.9 mt -87.44 120.45 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -118.59 148.78 42.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.578 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 33.0 p90 -150.5 148.63 28.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.658 ' HB3' HG22 ' A' ' 67' ' ' VAL . 27.3 ptt180 -141.24 -179.8 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -94.97 142.5 27.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.403 ' HB3' ' HB3' ' A' ' 89' ' ' GLU . . . -75.64 -12.01 60.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.05 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.2 t -97.53 -45.89 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -85.78 -44.77 12.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? 49.03 32.83 4.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 m -133.41 -34.15 1.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -91.38 111.87 23.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.658 HG22 ' HB3' ' A' ' 59' ' ' ARG . 9.0 t -120.73 145.7 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.51 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 35.3 m -119.79 136.12 54.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -91.11 141.26 29.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.6 m -134.97 114.85 12.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.493 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -101.44 129.43 47.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.493 ' N ' HD13 ' A' ' 71' ' ' LEU . 26.9 m -121.45 -177.9 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m -82.36 148.01 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.94 -42.04 78.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.4 t -88.81 29.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.32 . . . . 0.0 111.129 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -117.65 112.42 20.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.8 mt -103.5 31.34 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 99.5 p -156.77 150.6 24.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.506 ' C ' ' HE3' ' A' ' 36' ' ' MET . 37.7 tp60 -152.51 136.1 16.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.409 ' N ' ' HE3' ' A' ' 36' ' ' MET . 55.4 tp -111.62 111.05 21.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.0 mm -95.18 119.29 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -110.41 160.95 16.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.57 48.77 2.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 33' ' ' LYS . 4.4 mt -123.44 165.94 16.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -103.81 155.34 18.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.8 ptt85 -79.66 159.52 26.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.53 53.59 20.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.0 m -153.35 129.36 10.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.733 0.301 . . . . 0.0 111.145 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 3.3 tp10 -73.34 142.83 47.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -142.45 136.43 29.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.42 146.63 25.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 52.8 m-85 -140.75 148.94 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -143.92 141.46 30.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.637 HG12 ' HG3' ' A' ' 22' ' ' PRO . 90.6 t -115.03 127.48 72.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.4 ' HB2' ' HB2' ' A' ' 105' ' ' ALA . . . -124.79 149.8 46.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.7 150.23 22.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 102' ' ' THR . 6.3 mt -130.11 137.21 50.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.1 p -136.6 171.6 14.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 100' ' ' ASN . 9.7 tt -49.19 -41.61 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.43 ' N ' HG23 ' A' ' 99' ' ' ILE . 48.0 m-20 -58.89 -25.66 63.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.8 -145.66 17.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.548 ' HA ' HD23 ' A' ' 97' ' ' LEU . 15.2 p -78.59 160.22 27.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 0.0 111.153 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -125.18 -166.92 12.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.431 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 54.0 Cg_endo -69.7 162.29 42.61 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.379 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.4 ' HB2' ' HB2' ' A' ' 95' ' ' ALA . . . -129.5 133.2 47.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 65.6 p -57.06 165.78 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -62.61 172.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -86.64 96.16 10.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 tp -87.92 113.75 23.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 72.9 m -80.35 145.21 32.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.404 ' HB2' HD13 ' A' ' 27' ' ' LEU . . . -143.13 129.98 20.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -104.5 116.75 32.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.506 HG21 ' O ' ' A' ' 32' ' ' SER . 5.6 p -62.91 171.11 2.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.145 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -87.84 121.9 30.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -40.08 -35.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.36 -179.38 4.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.39 47.12 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 120' ' ' GLU . 2.4 tt -82.1 90.71 6.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -71.64 86.12 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.457 ' HB3' ' CD2' ' A' ' 118' ' ' LEU . 22.8 tt0 -173.54 123.79 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.9 t -133.72 38.07 3.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 44.1 ptt85 38.44 47.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.561 HG13 ' HD2' ' A' ' 124' ' ' PRO . 95.6 t -41.34 136.14 1.81 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 0.0 111.1 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.561 ' HD2' HG13 ' A' ' 123' ' ' VAL . 54.0 Cg_endo -69.76 177.04 5.98 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -142.14 105.25 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 97.8 t -138.13 148.14 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.6 t -163.82 131.5 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.84 64.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 87.54 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.718 2.279 . . . . 0.0 112.349 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.2 t -52.92 -53.16 53.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.2 m -48.04 150.2 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.542 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.436 -0.265 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -169.82 145.07 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -170.99 172.13 5.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.05 170.86 26.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -166.76 155.07 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.952 0.406 . . . . 0.0 110.844 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -141.0 161.45 37.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.63 150.83 8.22 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -174.3 158.01 2.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.9 t -135.34 132.0 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.44 78.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.2 t -131.5 100.03 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 13' ' ' THR . 33.8 ptt180 -125.48 -40.8 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 12' ' ' ARG . 20.4 m -35.79 137.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -161.95 151.88 16.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -173.54 161.4 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -53.03 -52.16 59.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -55.61 154.07 13.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 111.137 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.11 56.26 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -123.08 41.34 3.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -142.19 129.57 21.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.512 ' HB2' ' HB2' ' A' ' 104' ' ' PRO . . . -105.29 157.46 34.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.702 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.9 Cg_endo -69.84 133.32 25.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.64 2.227 . . . . 0.0 112.36 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -102.06 -177.2 3.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 54.34 42.74 31.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.64 HD23 HD22 ' A' ' 109' ' ' LEU . 38.5 tp -72.14 158.42 35.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.418 ' N ' ' HG ' ' A' ' 25' ' ' LEU . 3.6 m -173.73 156.66 2.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.618 HD23 HG23 ' A' ' 37' ' ' ILE . 36.5 mt -130.16 96.35 4.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.6 93.33 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.01 93.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 30' ' ' ARG . 1.8 mmp_? -67.18 -46.71 73.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -139.73 -177.45 4.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.413 ' O ' HG21 ' A' ' 113' ' ' THR . 75.1 p -75.59 -27.52 58.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -112.37 18.39 18.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 p -148.32 139.18 23.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.478 HD11 HG23 ' A' ' 113' ' ' THR . 96.7 mt -142.26 116.41 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.8 tpp -87.29 131.81 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.763 ' CD1' HG21 ' A' ' 56' ' ' ILE . 6.4 mt -102.61 132.1 49.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -124.69 115.43 20.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.78 ' CH2' HD11 ' A' ' 56' ' ' ILE . 42.6 p90 -130.17 164.55 24.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -124.66 154.16 70.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.6 0.714 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 144.45 53.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.643 2.229 . . . . 0.0 112.317 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.412 ' HG2' ' NE2' ' A' ' 47' ' ' GLN . 53.5 Cg_endo -69.81 169.36 19.16 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.84 152.97 45.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -43.46 2.61 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.299 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.51 -53.05 33.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.42 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 10.1 p -63.13 -52.1 63.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.412 ' NE2' ' HG2' ' A' ' 42' ' ' PRO . 53.7 mt-30 -50.77 116.97 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.89 51.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.5 -168.68 41.2 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -110.06 132.04 54.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.46 HD13 ' OH ' ' A' ' 54' ' ' TYR . 96.7 mt -86.65 139.37 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.4 p -118.94 -33.45 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -169.65 175.84 43.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.46 ' OH ' HD13 ' A' ' 51' ' ' ILE . 62.2 m-85 -128.28 140.8 51.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.899 0.38 . . . . 0.0 110.974 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.91 ' HD2' HD21 ' A' ' 97' ' ' LEU . 18.0 mttp -103.63 116.12 31.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.78 HD11 ' CH2' ' A' ' 39' ' ' TRP . 30.8 mt -109.44 99.15 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.44 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 10.0 mtm105 -100.99 140.1 35.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.491 ' O ' HG13 ' A' ' 67' ' ' VAL . 32.2 p90 -142.05 166.32 25.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -150.57 178.66 8.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -101.47 121.81 42.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.63 -39.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.3 m -62.4 -57.87 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 8.5 ptm180 -118.11 98.56 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -69.13 -4.12 16.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -77.29 -36.22 54.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -80.51 102.22 9.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 58' ' ' TYR . 2.4 t -125.0 146.48 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.3 m -124.61 146.19 49.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -102.55 146.81 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 93.5 m -140.07 111.71 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.708 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -96.05 133.79 39.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.708 ' N ' HD13 ' A' ' 71' ' ' LEU . 27.7 m -123.79 178.02 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.5 m -81.81 149.62 28.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.65 -36.45 59.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.7 t -94.67 23.48 5.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.752 0.31 . . . . 0.0 111.143 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -111.8 108.9 18.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.6 mt -104.04 31.04 4.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.4 p -159.42 151.48 20.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -159.03 135.41 9.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.2 tp -102.83 118.96 37.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.6 mm -104.21 98.35 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -96.38 166.9 11.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.47 37.92 7.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mt -109.07 176.14 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 0.0 110.92 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -104.75 154.54 19.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 87' ' ' GLY . 11.4 ptt180 -81.93 168.02 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' ARG . . . 35.41 52.17 1.0 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.1 m -148.54 135.68 20.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 0.0 111.147 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.39 143.6 40.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.532 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . 44.0 m-85 -135.81 138.79 42.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.511 ' HB3' ' CE3' ' A' ' 108' ' ' TRP . 3.2 m120 -103.41 132.12 49.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 90' ' ' TYR . 69.7 m-85 -132.57 152.83 51.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.57 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 14.0 ptm180 -154.93 128.01 8.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.695 HG22 HG12 ' A' ' 56' ' ' ILE . 49.0 t -102.93 139.15 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.08 137.54 41.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.04 150.82 25.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.91 HD21 ' HD2' ' A' ' 55' ' ' LYS . 8.1 mt -127.64 144.38 51.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.9 p -141.51 174.04 10.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 tp -59.09 -30.5 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -66.88 -16.6 64.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.95 -139.01 10.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.461 ' HA ' HD23 ' A' ' 97' ' ' LEU . 24.0 p -86.53 163.11 17.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 111.149 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -126.81 -174.99 13.96 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.512 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.76 166.5 27.39 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.29 165.49 18.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.08 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.481 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 70.9 p -89.2 133.8 34.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.1 OUTLIER -36.91 144.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.57 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 42.6 m95 -55.63 103.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.64 HD22 HD23 ' A' ' 25' ' ' LEU . 9.6 tp -95.58 113.18 24.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 56.8 m -87.08 143.16 27.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.3 130.73 21.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -100.37 120.75 40.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.478 HG23 HD11 ' A' ' 35' ' ' ILE . 1.4 p -70.72 169.62 14.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -84.77 119.06 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -39.64 -34.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m -144.72 177.04 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -98.2 111.52 23.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.2 tp -134.81 111.09 9.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -83.93 97.1 9.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -138.66 117.19 12.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 24.4 p -128.85 160.14 33.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.6 ptt85 -166.54 129.58 1.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.34 141.16 35.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.619 0.723 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 179.09 3.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -130.1 125.28 34.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 33.4 m -80.37 172.56 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 m -105.6 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -117.05 154.79 16.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -174.39 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.372 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.6 m -120.17 -33.71 3.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 37.1 m 43.15 48.09 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 t -131.14 80.71 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 110.876 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -164.16 148.2 9.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.35 132.93 3.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -116.24 108.1 15.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.906 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' GLY . 51.9 p -110.86 -63.46 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.23 -114.3 0.2 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -52.2 179.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.813 0.34 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.8 p -47.87 143.22 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.25 164.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.3 t -98.93 139.83 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.43 ' N ' ' HD2' ' A' ' 12' ' ' ARG . 1.6 mpt_? -99.21 166.55 11.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m -93.26 32.47 1.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 15' ' ' SER . 1.0 OUTLIER -113.19 118.06 33.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.462 ' N ' HD12 ' A' ' 14' ' ' LEU . 25.9 p -107.52 135.32 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -39.98 -58.45 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.8 m -47.19 151.5 1.23 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.629 0.728 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 153.34 68.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.647 2.232 . . . . 0.0 112.318 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 t -127.29 35.85 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -114.28 124.93 53.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.6 149.79 37.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.7 Cg_endo -69.7 135.51 30.79 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.333 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -102.49 175.65 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 58.77 43.22 18.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.3 tp -73.14 146.34 45.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -164.26 162.32 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.625 HD23 HG23 ' A' ' 37' ' ' ILE . 8.0 mt -134.96 103.61 5.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -84.48 93.06 8.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.473 HG12 ' CE2' ' A' ' 114' ' ' PHE . 93.2 t -58.38 94.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -70.21 -42.15 72.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -146.03 161.75 39.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.3 m -62.64 -14.34 42.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.54 -11.48 11.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 p -126.44 138.67 53.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.516 HD12 HD13 ' A' ' 84' ' ' LEU . 87.9 mt -134.13 114.67 19.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.9 tpp -83.59 142.29 30.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.625 HG23 HD23 ' A' ' 27' ' ' LEU . 16.2 mt -111.85 137.21 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -129.22 117.52 20.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.789 ' CH2' HD11 ' A' ' 56' ' ' ILE . 41.3 p90 -134.97 167.27 21.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -125.92 151.45 71.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 143.73 51.95 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.256 . . . . 0.0 112.398 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 171.06 15.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.54 152.24 26.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.576 0.703 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -40.05 5.76 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.43 -48.01 77.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 47' ' ' GLN . 70.4 p -61.98 -55.23 31.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 46' ' ' THR . 61.1 mt-30 -35.3 134.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -109.96 34.96 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 152.27 -139.53 7.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -120.64 134.24 55.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.446 ' HA ' HG22 ' A' ' 98' ' ' THR . 75.2 mt -78.08 137.23 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.9 p -109.03 -29.41 8.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.68 161.21 29.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.469 ' O ' HD23 ' A' ' 71' ' ' LEU . 96.2 m-85 -109.44 138.48 45.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.953 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.451 ' HB2' HD11 ' A' ' 97' ' ' LEU . 16.7 tttm -96.0 99.41 11.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.789 HD11 ' CH2' ' A' ' 39' ' ' TRP . 74.0 mt -93.12 113.66 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -118.72 133.94 55.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.548 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 32.2 p90 -132.66 146.52 51.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.46 ' NH2' ' CD1' ' A' ' 108' ' ' TRP . 24.2 ptt180 -135.93 174.29 10.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -93.23 136.23 33.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.38 -47.96 80.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 m -69.44 -44.47 71.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -118.6 68.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -45.21 -42.14 8.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t -44.54 -35.86 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -77.5 97.41 5.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.5 p -129.08 141.38 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.515 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 88.3 m -118.68 142.89 47.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.493 ' OE2' ' N ' ' A' ' 70' ' ' THR . 3.4 tm-20 -90.04 142.47 27.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.558 HG21 HD11 ' A' ' 81' ' ' ILE . 47.2 m -146.6 107.95 4.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.629 HD21 ' CD1' ' A' ' 97' ' ' LEU . 10.3 mt -96.32 163.27 13.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.1 m -146.15 -175.61 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 m -80.57 151.95 28.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.69 -29.37 74.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.1 t -91.85 -6.0 52.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.736 0.303 . . . . 0.0 111.147 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 78' ' ' SER . 4.0 tt0 -88.84 116.07 26.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.6 mt -101.75 21.61 14.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.407 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 92.5 p -149.26 161.58 41.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -160.96 125.05 3.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.7 tp -98.29 110.82 23.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.558 HD11 HG21 ' A' ' 70' ' ' THR . 15.9 mm -96.01 108.9 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -103.76 158.88 16.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.33 48.49 1.85 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.516 HD13 HD12 ' A' ' 35' ' ' ILE . 6.6 mt -120.74 171.98 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.31 147.86 30.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -70.96 159.66 34.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 45.4 55.59 6.74 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.2 m -152.0 118.7 5.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.791 0.329 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.09 135.04 53.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -130.7 148.98 52.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.466 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 3.0 m120 -112.11 150.35 30.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.548 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 16.9 m-85 -144.07 150.75 38.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.51 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 10.1 ptm180 -141.74 129.06 21.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 106' ' ' THR . 47.2 t -109.57 127.62 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.49 147.3 52.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.51 141.23 28.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.629 ' CD1' HD21 ' A' ' 71' ' ' LEU . 8.4 mt -122.28 134.61 54.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.446 HG22 ' HA ' ' A' ' 51' ' ' ILE . 50.4 p -131.2 174.56 9.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.9 tp -53.46 -35.23 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -58.8 -22.53 58.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 141.63 -103.49 0.34 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.414 ' HA ' HD23 ' A' ' 97' ' ' LEU . 41.2 p -123.21 170.97 9.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 111.141 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.68 -172.76 13.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.442 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.77 163.83 36.81 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.471 ' HB1' ' HE ' ' A' ' 93' ' ' ARG . . . -123.17 149.93 43.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.475 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 80.5 p -78.36 152.91 32.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -46.27 168.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.51 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 25.4 m95 -82.33 97.73 8.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 109' ' ' LEU . 10.3 tp -87.48 117.5 26.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 p -98.04 130.38 44.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -128.16 139.02 52.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.078 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -101.6 126.56 48.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.423 HG23 HD11 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -73.66 163.73 27.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.473 ' CE2' HG12 ' A' ' 29' ' ' VAL . 49.2 m-85 -75.26 122.97 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -47.19 -22.07 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.4 m -140.01 140.18 36.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 118' ' ' LEU . 0.9 OUTLIER -47.03 -43.97 20.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 117' ' ' ASP . 4.2 tp -35.42 113.54 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.16 163.17 28.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -107.26 172.88 6.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.8 t -99.98 146.68 26.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -156.59 127.3 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 123' ' ' VAL . 12.9 m -96.3 104.0 15.86 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 123' ' ' VAL . 53.8 Cg_endo -69.75 143.48 51.03 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.357 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -150.04 117.04 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.7 p -145.1 138.5 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.3 m -147.46 130.73 16.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 170.34 114.64 0.32 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.509 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 171.5 14.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.391 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.0 t -139.77 172.85 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 t -156.08 176.22 12.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.504 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.632 0.73 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 143.16 49.87 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.3 t -117.62 33.48 5.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -133.15 137.25 46.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.843 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -114.53 168.73 7.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 0.0 111.098 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.843 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.75 145.18 56.45 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.484 ' NE2' ' HA ' ' A' ' 42' ' ' PRO . 1.9 mp0 -109.35 -179.7 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 53.91 36.9 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.2 tp -65.27 134.9 54.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.523 ' O ' HD23 ' A' ' 27' ' ' LEU . 1.5 p -148.0 156.59 42.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 26' ' ' SER . 29.2 mt -130.46 96.31 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 28' ' ' GLU . 5.0 tm-20 -84.8 89.84 7.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -53.67 111.23 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.444 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 11.4 mmm180 -81.13 -48.78 11.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -141.33 176.04 9.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.9 p -74.66 -3.21 29.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -123.79 -15.62 6.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.469 ' OG ' HD11 ' A' ' 80' ' ' LEU . 29.5 t -125.9 158.66 34.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.6 mt -148.31 125.27 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.444 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 5.2 tpt -84.18 135.01 34.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.592 HD12 HD13 ' A' ' 56' ' ' ILE . 3.5 mt -111.56 123.91 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -121.39 115.57 23.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.598 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 36.9 p90 -133.84 154.51 50.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.426 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -110.58 149.94 40.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 110.965 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 146.72 61.43 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.484 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 54.0 Cg_endo -69.81 168.5 21.44 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.324 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.59 153.03 22.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.627 0.727 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -43.7 2.51 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.359 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.29 -43.54 67.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.07 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.7 p -71.33 -41.05 70.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -45.56 103.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -86.79 37.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 141.26 165.61 10.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -66.2 138.76 57.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.471 ' HA ' HG22 ' A' ' 98' ' ' THR . 59.9 mt -81.03 137.67 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 37.2 p -104.72 -26.63 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.21 172.84 39.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -119.87 150.34 40.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.917 0.389 . . . . 0.0 110.953 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -110.46 100.85 9.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.729 HG12 HG22 ' A' ' 94' ' ' VAL . 58.6 mt -91.23 110.64 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -117.53 145.34 44.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.551 ' CE1' ' HB ' ' A' ' 68' ' ' THR . 1.5 p90 -146.75 156.6 43.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -139.57 177.6 7.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.436 ' HG2' ' CE1' ' A' ' 90' ' ' TYR . 64.2 mttt -100.08 129.98 46.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.18 -23.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.1 m -94.15 -28.53 15.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -130.11 89.28 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -71.15 -35.65 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 t -56.9 -35.14 68.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -81.1 108.73 15.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.0 t -125.09 151.0 30.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.551 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 71.8 m -113.66 132.32 55.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -92.76 136.0 33.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.5 m -145.28 116.56 7.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.438 ' CD1' ' CD1' ' A' ' 97' ' ' LEU . 46.2 tp -109.6 127.62 54.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.409 HG11 ' HB2' ' A' ' 79' ' ' GLN . 25.6 m -112.89 -176.66 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m -77.97 163.37 26.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.3 -46.08 74.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 t -82.98 18.71 1.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.724 0.297 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -102.17 116.5 32.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.3 mt -110.99 20.33 17.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.0 p -156.79 138.71 14.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 56' ' ' ILE . 25.5 tp60 -143.47 139.22 29.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.469 HD11 ' OG ' ' A' ' 34' ' ' SER . 47.6 tp -105.17 115.25 29.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.6 mm -99.73 104.9 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -100.95 161.17 13.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.61 46.24 1.83 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.7 mt -120.39 173.31 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.39 153.33 28.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -72.64 160.72 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.46 55.82 5.82 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 87.7 m -151.93 133.22 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 0.0 111.145 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -81.72 143.5 31.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.436 ' CE1' ' HG2' ' A' ' 60' ' ' LYS . 66.2 m-85 -142.94 135.36 27.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -97.61 130.81 44.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -123.27 152.88 40.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.533 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 15.3 ptt85 -152.43 141.53 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.729 HG22 HG12 ' A' ' 56' ' ' ILE . 59.6 t -118.03 139.63 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.49 146.75 46.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.24 147.25 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.596 ' CD2' HG22 ' A' ' 102' ' ' THR . 5.0 mt -129.61 143.45 50.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.471 HG22 ' HA ' ' A' ' 51' ' ' ILE . 70.2 p -139.02 178.8 6.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 19.0 tt -61.4 -24.87 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -72.01 -15.65 62.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.76 -120.57 1.96 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.596 HG22 ' CD2' ' A' ' 97' ' ' LEU . 16.8 p -113.61 173.0 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 111.149 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -128.16 -175.95 14.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.416 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.5 Cg_endo -69.79 164.25 35.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.234 . . . . 0.0 112.364 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.533 ' HB1' ' HD2' ' A' ' 93' ' ' ARG . . . -117.06 148.15 41.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.084 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 94' ' ' VAL . 60.4 p -76.28 152.38 36.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -44.14 168.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -86.07 97.8 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.5 tp -92.93 118.83 31.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 97.0 p -92.01 135.08 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -130.97 129.18 41.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -99.26 117.91 34.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.2 p -63.95 170.78 3.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -85.48 126.04 33.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -48.7 -24.26 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.838 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.613 0.72 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.41 57.05 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 2.264 . . . . 0.0 112.323 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -125.62 24.69 7.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -115.34 126.54 54.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.8 154.45 38.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.426 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.8 Cg_endo -69.76 145.58 57.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.652 2.234 . . . . 0.0 112.364 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -112.12 -176.35 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 53.39 37.88 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.7 tp -70.56 151.6 44.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.502 ' O ' HD23 ' A' ' 27' ' ' LEU . 3.4 m -169.66 162.45 9.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 26' ' ' SER . 15.4 mt -132.98 103.6 6.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -88.39 87.69 7.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.8 92.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -64.93 -51.3 62.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -130.73 -175.82 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.2 p -79.57 -21.14 45.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.13 -2.09 14.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.8 t -126.73 157.15 39.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.459 HD12 ' HZ ' ' A' ' 92' ' ' PHE . 74.8 mt -152.3 120.72 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.1 tpp -89.05 133.17 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.719 ' CD1' HG21 ' A' ' 56' ' ' ILE . 14.5 mt -105.77 134.16 48.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -125.5 114.89 19.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.582 ' CH2' HD11 ' A' ' 56' ' ' ILE . 39.6 p90 -131.66 165.71 23.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 -126.51 151.88 73.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 143.45 50.83 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.407 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 53.8 Cg_endo -69.74 171.02 15.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.46 152.21 56.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 111.043 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -38.6 7.58 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.52 -34.77 74.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.424 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 82.8 p -80.55 -47.03 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' THR . 36.6 mt-30 -38.52 146.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -121.26 37.91 4.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.83 -163.34 26.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.532 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -93.68 131.92 38.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.729 0.3 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.626 HD13 ' OH ' ' A' ' 54' ' ' TYR . 61.6 mt -75.75 123.58 32.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.7 p -94.39 -43.46 8.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.83 -179.56 32.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.626 ' OH ' HD13 ' A' ' 51' ' ' ILE . 49.9 m-85 -131.84 124.5 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.965 0.412 . . . . 0.0 110.882 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -88.25 103.23 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.719 HG21 ' CD1' ' A' ' 37' ' ' ILE . 74.8 mt -103.22 112.7 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -114.11 156.16 24.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.433 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 40.4 p90 -157.3 144.54 18.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.481 ' HB3' HG22 ' A' ' 67' ' ' VAL . 20.9 ptt180 -132.87 167.48 20.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -85.48 126.7 34.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.2 -34.86 2.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.6 p -83.96 -45.18 13.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.0 tpt85 -110.58 92.62 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -71.54 -50.5 30.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.4 t -42.43 -31.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -83.21 104.61 13.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.481 HG22 ' HB3' ' A' ' 59' ' ' ARG . 5.7 t -128.66 145.41 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.8 m -120.72 132.32 55.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -95.68 137.1 35.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 78.9 m -130.57 125.1 33.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -104.54 130.01 52.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.592 ' N ' HD13 ' A' ' 71' ' ' LEU . 33.5 m -124.86 179.31 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.9 t -85.42 157.23 20.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.89 -58.63 12.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -61.91 -14.24 32.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 0.0 111.145 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.489 ' NE2' ' OE1' ' A' ' 79' ' ' GLN . 28.9 tt0 -77.99 113.69 16.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.0 mt -104.88 13.11 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.4 p -141.02 157.69 44.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.489 ' OE1' ' NE2' ' A' ' 76' ' ' GLN . 34.9 tp60 -163.32 129.12 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.8 tp -98.26 118.06 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 50.2 mm -99.7 104.85 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -99.2 168.01 10.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.43 41.78 4.72 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 mt -119.49 161.1 21.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.1 142.11 30.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -66.61 158.76 29.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.78 56.35 11.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.536 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.405 ' HB ' ' CE2' ' A' ' 90' ' ' TYR . 80.5 m -156.29 137.6 13.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.712 0.292 . . . . 0.0 111.132 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -81.09 143.38 32.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.405 ' CE2' ' HB ' ' A' ' 88' ' ' THR . 96.2 m-85 -140.9 136.41 32.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -97.86 142.33 29.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.459 ' HZ ' HD12 ' A' ' 35' ' ' ILE . 77.6 m-85 -134.97 157.65 46.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.488 ' CD ' ' CH2' ' A' ' 108' ' ' TRP . 8.4 ptm180 -155.55 127.71 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.583 HG22 HG12 ' A' ' 56' ' ' ILE . 86.7 t -104.36 134.13 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.78 137.57 41.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.54 ' HA ' ' CD1' ' A' ' 54' ' ' TYR . . . -83.1 149.73 26.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.581 HD23 ' HA ' ' A' ' 102' ' ' THR . 11.8 mt -121.71 146.14 47.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -141.86 169.85 16.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.4 tt -58.9 -22.21 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -76.92 -10.05 59.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.97 -122.62 3.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.581 ' HA ' HD23 ' A' ' 97' ' ' LEU . 30.9 p -109.56 161.02 15.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.83 0.348 . . . . 0.0 111.117 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -115.45 -174.38 17.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 152.75 69.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.459 ' HB1' ' HE ' ' A' ' 93' ' ' ARG . . . -116.09 137.27 52.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.426 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 69.5 p -62.44 157.67 19.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -51.26 169.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.488 ' CH2' ' CD ' ' A' ' 93' ' ' ARG . 31.6 m95 -79.07 92.4 5.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.416 HD23 ' HG ' ' A' ' 27' ' ' LEU . 11.2 tp -86.36 113.41 22.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.7 p -92.76 143.42 26.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -139.32 136.6 35.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -98.56 118.26 34.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.415 HG23 HD11 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -71.58 157.36 38.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -67.25 122.9 18.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -49.07 -25.2 1.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.758 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 121.578 0.704 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.42 ' HA ' ' ND2' ' A' ' 48' ' ' ASN . 53.8 Cg_endo -69.75 164.28 35.11 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.744 2.296 . . . . 0.0 112.33 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 t -131.22 20.46 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.543 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -109.46 130.22 55.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.626 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.72 161.69 22.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.557 0.694 . . . . 0.0 111.083 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.626 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.78 133.11 24.75 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.514 ' NE2' ' HA ' ' A' ' 42' ' ' PRO . 2.1 mp0 -99.49 175.32 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 59.25 38.52 23.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 tp -69.06 152.31 45.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -171.06 162.71 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.607 HD23 HG23 ' A' ' 37' ' ' ILE . 17.2 mt -133.52 101.19 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 30' ' ' ARG . 24.6 tp10 -84.07 93.28 8.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.41 80.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' GLU . 20.5 mmm180 -52.28 -51.58 57.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.406 ' ND2' ' OG ' ' A' ' 34' ' ' SER . 54.7 m-20 -138.64 178.91 6.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.2 p -72.97 -22.93 60.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.09 8.36 15.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.406 ' OG ' ' ND2' ' A' ' 31' ' ' ASN . 27.9 p -143.75 129.7 19.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.545 HD11 HG23 ' A' ' 113' ' ' THR . 65.8 mt -128.15 114.99 36.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.454 ' SD ' ' CE1' ' A' ' 38' ' ' HIS . 5.2 ttm -80.53 146.87 31.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.721 HD12 HG21 ' A' ' 56' ' ' ILE . 2.1 mt -116.69 127.92 74.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.454 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 95.1 m-70 -120.09 115.24 23.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.846 ' CH2' HD11 ' A' ' 56' ' ' ILE . 33.1 p90 -135.17 158.84 43.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.446 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -117.83 154.3 51.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.634 0.73 . . . . 0.0 110.878 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' HD13 ' A' ' 77' ' ' LEU . 54.1 Cg_endo -69.72 144.36 54.01 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.729 2.286 . . . . 0.0 112.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.514 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.82 165.16 31.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.75 152.76 34.92 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.582 0.706 . . . . 0.0 111.11 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -46.16 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.385 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.14 -16.33 12.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 69.1 p -100.86 -18.22 16.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -73.1 114.81 11.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.42 ' ND2' ' HA ' ' A' ' 18' ' ' PRO . 9.0 m-20 -87.67 28.93 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 151.14 -171.2 30.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -87.09 137.98 31.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.599 HD13 ' OH ' ' A' ' 54' ' ' TYR . 60.5 mt -80.01 131.92 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.9 p -102.68 -25.25 13.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.55 170.41 39.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.53 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.599 ' OH ' HD13 ' A' ' 51' ' ' ILE . 94.2 m-85 -120.18 133.55 55.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.941 0.401 . . . . 0.0 110.877 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.491 ' HE3' HD21 ' A' ' 97' ' ' LEU . 13.3 ttmt -95.86 102.41 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.846 HD11 ' CH2' ' A' ' 39' ' ' TRP . 54.8 mt -97.7 127.26 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.5 mtp85 -126.12 147.41 49.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.58 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 52.8 p90 -147.37 142.33 26.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.535 ' NH2' ' CE2' ' A' ' 108' ' ' TRP . 22.7 ptt180 -140.27 177.56 7.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -93.71 135.12 35.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.45 -43.1 16.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -79.53 -52.21 8.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -99.26 84.6 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -73.88 -39.39 63.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.3 m -43.16 -54.64 4.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -68.13 107.33 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 65' ' ' SER . 2.6 t -124.99 152.03 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.402 HG21 ' OH ' ' A' ' 58' ' ' TYR . 49.8 m -114.05 144.88 42.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -108.34 119.71 40.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 m -131.3 103.04 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.697 HD23 ' N ' ' A' ' 72' ' ' VAL . 1.2 tt -100.41 130.04 46.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.697 ' N ' HD23 ' A' ' 71' ' ' LEU . 5.9 m -110.95 179.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 t -69.48 163.69 24.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.77 -39.39 93.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -85.06 1.8 46.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.755 0.312 . . . . 0.0 111.169 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -86.66 117.71 25.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.402 HD13 ' HD3' ' A' ' 41' ' ' PRO . 71.2 mt -113.55 24.94 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.1 p -158.7 148.58 19.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.816 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.489 ' OE1' ' CG1' ' A' ' 72' ' ' VAL . 51.0 tp60 -150.97 155.08 38.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' A' ' 79' ' ' GLN . 26.7 tp -121.06 113.61 20.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 14.1 mm -95.63 93.44 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -91.49 155.08 18.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.61 48.12 2.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.478 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 27.2 mt -115.8 -177.05 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -117.89 140.03 50.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -66.26 163.77 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.59 56.57 2.0 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 76.6 m -154.56 126.38 7.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.105 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -65.21 141.79 58.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.478 ' CE2' ' HB3' ' A' ' 84' ' ' LEU . 36.7 m-85 -138.45 135.5 35.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -97.73 150.49 21.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 74.2 m-85 -148.85 145.89 27.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -148.25 135.98 20.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.735 ' O ' HG23 ' A' ' 106' ' ' THR . 45.7 t -113.11 133.89 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.33 147.35 52.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.95 147.62 22.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.491 HD21 ' HE3' ' A' ' 55' ' ' LYS . 6.8 mt -125.43 136.69 53.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.4 p -137.34 175.5 9.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.5 tt -59.73 -23.01 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -73.94 -14.62 61.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 132.3 -125.23 4.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.409 HG23 ' CD2' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -105.36 154.21 20.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -109.43 -166.76 20.25 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.457 ' HG3' ' C ' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.8 168.47 21.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.234 . . . . 0.0 112.337 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -127.35 135.8 51.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.735 HG23 ' O ' ' A' ' 94' ' ' VAL . 50.3 p -65.33 147.91 52.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.46 138.65 39.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.535 ' CE2' ' NH2' ' A' ' 59' ' ' ARG . 49.3 m95 -52.17 106.33 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.3 tp -101.28 116.84 33.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.8 m -89.78 142.77 27.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -137.07 138.63 40.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -104.32 118.09 35.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.545 HG23 HD11 ' A' ' 35' ' ' ILE . 1.2 p -69.72 165.65 20.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 116' ' ' SER . 63.8 m-85 -77.01 126.27 30.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -41.91 -24.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 114' ' ' PHE . 2.1 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.642 0.734 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 155.46 66.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -120.87 12.76 11.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.47 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -105.28 127.88 53.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.666 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.2 162.81 18.49 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.666 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.8 Cg_endo -69.76 142.85 49.05 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 42' ' ' PRO . 1.8 mp0 -108.89 178.49 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 58.6 34.37 23.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.432 HD22 ' CB ' ' A' ' 106' ' ' THR . 59.0 tp -65.2 152.72 42.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.56 ' O ' HD23 ' A' ' 27' ' ' LEU . 3.1 m -171.38 162.92 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.704 HD23 HG23 ' A' ' 37' ' ' ILE . 26.7 mt -133.72 98.96 4.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' MET . 8.6 tp10 -83.53 90.35 7.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.7 t -57.21 84.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 28' ' ' GLU . 48.3 mmm-85 -53.53 -50.08 66.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -141.1 -175.65 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.8 m -78.66 -7.85 58.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.93 4.51 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.2 p -141.63 125.08 16.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.9 mt -122.61 121.09 62.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.5 ttm -88.96 139.75 30.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.704 HG23 HD23 ' A' ' 27' ' ' LEU . 4.1 mt -111.47 131.98 61.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -123.62 118.64 27.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.708 ' CH2' HD11 ' A' ' 56' ' ' ILE . 39.1 p90 -136.85 168.94 18.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -128.31 153.21 78.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.59 0.71 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.457 ' HD3' ' CD1' ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.76 144.28 53.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.434 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 53.3 Cg_endo -69.77 163.48 38.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.35 152.5 23.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -40.57 5.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.08 -47.55 74.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.47 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 25.4 p -68.58 -51.81 38.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' THR . 39.7 mt-30 -36.74 133.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -103.09 33.53 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 146.52 -153.78 25.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -99.12 150.69 21.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.322 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.2 mt -96.87 133.89 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.9 p -104.55 -35.12 7.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.06 176.8 45.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -123.7 157.3 34.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.911 0.386 . . . . 0.0 110.953 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -116.24 104.89 11.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.708 HD11 ' CH2' ' A' ' 39' ' ' TRP . 82.9 mt -97.88 104.19 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -111.63 136.37 50.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.488 ' CZ ' ' HB ' ' A' ' 68' ' ' THR . 21.9 p90 -135.08 144.74 47.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -134.02 178.88 6.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -101.36 135.9 42.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.32 -58.33 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.1 t -57.69 -56.27 24.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -99.0 89.95 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.87 42.94 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 m -130.74 -33.38 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -88.65 99.62 12.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.71 135.01 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.488 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 84.7 m -106.43 141.06 38.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.19 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -98.99 136.3 39.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.2 m -131.06 119.3 21.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.715 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.4 OUTLIER -98.82 139.05 35.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.715 ' N ' HD13 ' A' ' 71' ' ' LEU . 31.0 m -129.87 172.81 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.9 t -75.51 153.96 37.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.52 -44.99 97.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.6 t -79.48 4.79 14.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.73 0.3 . . . . 0.0 111.135 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -97.51 109.65 22.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.457 ' CD1' ' HD3' ' A' ' 41' ' ' PRO . 77.1 mt -103.34 18.83 20.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.9 p -148.39 143.0 26.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.544 ' NE2' HG12 ' A' ' 72' ' ' VAL . 3.9 tp-100 -146.83 156.2 42.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' A' ' 79' ' ' GLN . 27.4 tp -123.86 110.22 14.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.6 mm -95.39 107.57 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -103.3 162.64 12.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.34 43.66 3.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mt -122.77 160.45 25.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -93.22 151.03 20.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.1 165.82 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.1 50.41 4.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.7 m -146.44 132.17 18.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -75.75 145.24 40.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -142.7 143.27 32.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -100.13 144.89 28.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.461 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 75.7 m-85 -141.29 142.99 33.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.459 ' HD2' ' CZ2' ' A' ' 108' ' ' TRP . 11.3 ptm180 -145.41 124.68 12.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.457 HG22 HG12 ' A' ' 56' ' ' ILE . 94.8 t -103.38 134.72 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.75 151.78 51.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.04 142.88 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.8 mt -118.55 129.81 55.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.0 p -129.3 178.12 6.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.7 tt -61.58 -22.23 27.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -75.18 -13.6 60.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 130.5 -120.54 3.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.74 147.05 29.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.351 . . . . 0.0 111.078 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -105.89 -172.91 23.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.484 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.48 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 54.4 Cg_endo -69.76 158.26 57.57 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.243 . . . . 0.0 112.366 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.72 142.15 48.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.442 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 63.9 p -65.24 147.14 53.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.83 134.23 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.459 ' CZ2' ' HD2' ' A' ' 93' ' ' ARG . 45.3 m95 -45.8 109.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.9 tp -102.85 113.5 26.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.2 m -84.52 147.46 27.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.405 ' HB2' HD12 ' A' ' 27' ' ' LEU . . . -146.1 131.58 18.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -101.49 113.86 27.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.24 169.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.44 ' O ' ' N ' ' A' ' 116' ' ' SER . 7.7 m-85 -76.7 118.4 19.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -41.96 -24.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 114' ' ' PHE . 4.8 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.639 0.733 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 148.39 65.24 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 t -125.47 48.12 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.494 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -136.31 131.93 35.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.419 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -111.95 155.49 43.21 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.559 0.695 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HG3' HG12 ' A' ' 94' ' ' VAL . 53.6 Cg_endo -69.78 135.77 31.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -101.84 176.09 5.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 59.76 35.66 22.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.6 tp -63.62 140.43 58.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.0 m -156.66 161.78 39.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.746 HD23 HG23 ' A' ' 37' ' ' ILE . 6.1 mt -135.35 105.65 6.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' ARG . 25.4 tp10 -91.11 79.95 5.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.0 t -45.61 92.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' GLU . 47.8 mmm-85 -61.62 -54.78 38.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -137.17 -177.42 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.534 ' O ' HG21 ' A' ' 113' ' ' THR . 53.8 p -72.0 -26.31 62.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -113.8 8.05 17.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.2 p -138.43 131.15 29.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.4 mt -130.65 111.99 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.402 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 2.5 ttm -83.66 130.17 34.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.834 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.746 HG23 HD23 ' A' ' 27' ' ' LEU . 5.0 mt -104.49 130.64 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.092 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.402 ' CD2' ' HG2' ' A' ' 36' ' ' MET . 74.9 m-70 -125.56 116.63 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.774 ' CH2' HD11 ' A' ' 56' ' ' ILE . 39.0 p90 -133.06 168.81 17.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -118.51 147.61 42.32 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.475 ' HD3' HD13 ' A' ' 77' ' ' LEU . 54.2 Cg_endo -69.75 144.96 55.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 171.15 15.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.721 2.281 . . . . 0.0 112.311 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.72 148.47 26.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.611 0.719 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -8.77 24.44 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.22 -25.76 15.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.494 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 22.0 p -92.37 -32.76 14.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 46' ' ' THR . 46.6 mt-30 -33.15 -35.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 46' ' ' THR . 20.0 t-20 63.48 25.71 14.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.32 172.24 13.06 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -64.49 145.06 56.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.311 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.46 HD13 ' OH ' ' A' ' 54' ' ' TYR . 83.5 mt -91.39 128.45 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.9 p -91.95 -34.68 14.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.429 ' HA2' ' C ' ' A' ' 73' ' ' SER . . . -176.55 159.01 25.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.534 ' O ' HD23 ' A' ' 71' ' ' LEU . 44.0 m-85 -106.87 124.69 49.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.947 0.403 . . . . 0.0 110.928 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.577 ' HB2' HD11 ' A' ' 97' ' ' LEU . 36.0 tttt -90.14 113.86 25.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.774 HD11 ' CH2' ' A' ' 39' ' ' TRP . 69.0 mt -101.09 107.47 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -107.97 141.7 39.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.45 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 16.8 p90 -149.19 152.25 35.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.54 ' NH2' ' CD1' ' A' ' 108' ' ' TRP . 17.0 ptt180 -140.62 179.08 6.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -92.21 137.14 32.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.43 -23.4 9.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.7 t -90.83 -41.31 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -119.75 109.7 15.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.838 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' SER . 0.9 OUTLIER -88.69 -50.19 6.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LYS . 89.4 p -37.14 -42.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -80.57 110.19 15.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.9 t -124.44 151.79 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.6 m -122.91 128.75 50.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.416 ' CD ' ' C ' ' A' ' 69' ' ' GLU . 4.4 tm-20 -86.52 140.91 29.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.481 HG21 ' CD1' ' A' ' 81' ' ' ILE . 90.7 m -147.78 105.17 3.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.876 HD21 ' CD1' ' A' ' 97' ' ' LEU . 13.3 mt -92.82 162.91 13.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.603 HG11 ' HB2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -130.32 -77.42 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.57 ' H ' HG23 ' A' ' 72' ' ' VAL . 0.9 OUTLIER -172.55 169.06 5.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.76 -47.37 83.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -102.83 35.04 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 0.0 111.168 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.428 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 18.5 tt0 -111.47 114.23 27.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.475 HD13 ' HD3' ' A' ' 41' ' ' PRO . 21.1 mt -108.76 27.12 9.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.2 p -153.07 155.15 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.603 ' HB2' HG11 ' A' ' 72' ' ' VAL . 33.8 tp60 -164.16 154.2 14.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.9 tp -122.23 112.55 18.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.481 ' CD1' HG21 ' A' ' 70' ' ' THR . 28.6 mm -96.98 98.48 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -95.13 168.81 10.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.0 40.96 7.32 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.448 HD11 ' O ' ' A' ' 81' ' ' ILE . 2.0 mt -114.07 171.53 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.43 155.65 18.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -80.97 160.1 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 43.64 52.53 6.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.9 m -146.31 120.71 9.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.099 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -65.11 143.4 57.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -142.98 135.02 27.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.425 ' HB3' ' CE3' ' A' ' 108' ' ' TRP . 1.5 m-80 -97.9 129.49 44.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.45 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 97.6 m-85 -124.16 152.83 42.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.559 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 7.3 ptp180 -153.54 134.59 13.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.808 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' A' ' 22' ' ' PRO . 61.0 t -103.69 141.3 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.54 147.74 39.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.38 150.26 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.876 ' CD1' HD21 ' A' ' 71' ' ' LEU . 10.3 mt -130.04 142.85 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.2 p -140.64 176.19 8.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.7 tp -54.99 -35.93 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -60.33 -20.53 59.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.31 -118.45 1.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.452 HG22 ' CD2' ' A' ' 97' ' ' LEU . 21.9 p -110.28 164.53 12.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 111.17 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -119.36 -174.88 15.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.491 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.7 Cg_endo -69.8 169.34 19.2 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.697 2.264 . . . . 0.0 112.306 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.99 147.71 50.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.057 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 69.4 p -76.71 161.27 28.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -51.12 169.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.559 ' CZ3' ' HG2' ' A' ' 93' ' ' ARG . 24.9 m95 -87.15 95.43 9.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.5 tp -86.79 117.55 25.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.5 p -88.19 133.63 33.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -133.06 130.91 39.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -104.84 116.64 32.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.534 HG21 ' O ' ' A' ' 32' ' ' SER . 0.8 OUTLIER -59.67 167.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -79.67 121.37 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -42.58 -30.45 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.817 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.634 0.73 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HA ' ' ND2' ' A' ' 48' ' ' ASN . 54.1 Cg_endo -69.72 84.13 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.7 p -72.09 69.39 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.656 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -169.69 115.43 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.84 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -92.97 168.86 11.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.568 0.699 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.84 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.68 151.57 69.54 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.731 2.287 . . . . 0.0 112.343 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -116.5 177.29 4.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 57.56 28.31 15.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.2 tp -58.11 147.24 30.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.51 ' O ' HD23 ' A' ' 27' ' ' LEU . 34.0 m -162.34 162.3 27.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 26' ' ' SER . 10.9 mt -134.8 99.4 4.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -85.1 87.31 7.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.6 t -52.41 108.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.481 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 3.3 mmp_? -78.47 -54.34 6.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -138.38 173.11 11.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.5 p -67.97 -14.98 63.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -120.43 8.21 10.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -147.92 139.26 23.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.557 HD11 HG23 ' A' ' 113' ' ' THR . 96.4 mt -134.3 122.33 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.481 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 6.1 tpt -84.15 131.91 34.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.631 HD12 HD13 ' A' ' 56' ' ' ILE . 2.9 mt -103.94 140.01 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.435 ' NE2' ' HG2' ' A' ' 36' ' ' MET . 90.1 m-70 -134.97 115.2 13.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.684 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 28.8 p90 -135.42 155.94 49.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -116.08 152.7 48.01 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.586 0.707 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 145.45 57.56 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 168.24 22.18 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.701 2.267 . . . . 0.0 112.38 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.84 152.55 48.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.579 0.704 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -38.76 7.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.68 -39.74 71.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.656 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 6.7 p -76.46 -50.34 14.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -48.96 107.38 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -107.08 33.6 3.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.62 172.83 45.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.448 ' OE1' ' C ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -89.91 117.8 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.331 . . . . 0.0 110.914 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.499 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 89.1 mt -68.16 114.52 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.5 p -94.63 -23.07 17.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.32 166.83 32.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.78 ' O ' HD12 ' A' ' 71' ' ' LEU . 45.0 m-85 -117.5 159.78 22.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.947 0.404 . . . . 0.0 110.928 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.82 ' HD2' HD21 ' A' ' 97' ' ' LEU . 24.9 mttp -120.8 118.3 29.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.684 HD11 ' CZ3' ' A' ' 39' ' ' TRP . 29.4 mt -104.35 106.01 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -104.3 130.86 52.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.453 ' CE1' ' HB ' ' A' ' 68' ' ' THR . 7.7 p90 -136.39 153.79 51.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.622 ' NH2' ' CD1' ' A' ' 108' ' ' TRP . 23.5 ptt180 -143.96 175.86 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' ALA . 34.4 mttp -101.49 125.15 48.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' LYS . . . -37.66 -42.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.2 t -73.02 -55.77 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -106.76 82.32 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -73.1 -46.1 53.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.964 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -38.58 -41.25 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -83.29 111.38 18.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.1 t -124.15 153.75 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.453 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 10.0 m -119.11 146.35 45.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.168 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -106.58 140.15 39.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.8 m -143.06 107.74 4.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 54' ' ' TYR . 30.3 tp -92.42 146.94 23.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.9 m -129.9 -179.17 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 t -75.31 152.38 38.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.46 -27.57 66.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -97.2 14.28 26.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 111.149 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -96.6 125.48 41.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.2 mt -113.25 7.91 17.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.5 m -155.95 152.63 28.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -148.93 150.81 33.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.1 tp -111.24 122.08 46.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.6 mm -103.73 97.2 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -88.04 160.33 17.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.84 47.49 3.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.1 mt -116.31 171.51 7.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.746 0.308 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -105.47 160.08 15.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -85.8 158.68 19.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.8 56.83 3.6 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.427 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.4 m -149.72 134.72 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.722 0.296 . . . . 0.0 111.15 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -73.66 136.6 43.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.48 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . 47.0 m-85 -134.89 132.21 38.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -96.9 141.67 29.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 90' ' ' TYR . 71.0 m-85 -139.72 152.04 46.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.486 ' HD3' ' CZ2' ' A' ' 108' ' ' TRP . 12.3 ptt180 -155.81 130.73 9.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.615 HG22 HG12 ' A' ' 56' ' ' ILE . 47.0 t -105.47 137.17 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.38 140.05 48.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.23 148.0 24.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.82 HD21 ' HD2' ' A' ' 55' ' ' LYS . 5.7 mt -128.22 142.4 51.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.405 HG22 ' HA ' ' A' ' 51' ' ' ILE . 71.5 p -142.13 170.5 15.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.7 tt -54.95 -29.77 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.159 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -65.41 -20.41 66.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 143.53 -110.83 0.61 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.471 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.552 HG22 ' CD2' ' A' ' 97' ' ' LEU . 3.1 p -121.65 178.22 4.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -134.02 -177.92 15.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.485 ' HG2' ' CA ' ' A' ' 21' ' ' ALA . 53.8 Cg_endo -69.75 159.72 52.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.41 139.95 49.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.069 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.474 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 73.2 p -68.86 134.36 49.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.3 OUTLIER -36.34 142.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.622 ' CD1' ' NH2' ' A' ' 59' ' ' ARG . 67.2 m95 -56.65 98.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 109' ' ' LEU . 9.5 tp -89.09 116.22 27.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.8 p -90.73 147.88 22.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.37 129.15 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -97.99 113.94 25.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.557 HG23 HD11 ' A' ' 35' ' ' ILE . 1.8 p -58.32 178.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -87.69 125.18 34.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -45.65 -31.54 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.785 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.657 0.741 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 81.19 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.25 . . . . 0.0 112.336 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 t -71.45 69.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.443 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -174.54 121.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.072 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.676 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -89.51 163.55 32.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.523 0.678 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.676 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.8 142.48 47.89 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.642 2.228 . . . . 0.0 112.364 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.475 ' NE2' ' HA ' ' A' ' 42' ' ' PRO . 2.5 mp0 -103.71 177.54 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 54.63 45.73 26.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.4 tp -74.03 148.99 41.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.615 ' O ' HD23 ' A' ' 27' ' ' LEU . 15.7 m -162.78 159.97 24.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.796 ' HG ' HD23 ' A' ' 109' ' ' LEU . 19.4 mt -131.14 96.63 4.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -82.1 91.91 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.5 t -62.61 95.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 mmm-85 -70.32 -47.35 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.9 169.44 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 m -69.62 -10.66 59.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -114.88 -12.02 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.548 ' OG ' HD11 ' A' ' 80' ' ' LEU . 25.0 t -125.32 156.25 38.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.458 HD11 HG23 ' A' ' 113' ' ' THR . 47.0 mt -151.51 108.47 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.9 tpp -77.91 141.43 39.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.69 HD12 HG21 ' A' ' 56' ' ' ILE . 3.1 mt -117.43 120.59 65.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -112.55 116.39 30.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.808 ' CH2' HD11 ' A' ' 56' ' ' ILE . 34.1 p90 -133.4 154.86 50.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -110.52 152.6 43.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.712 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 144.64 54.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.475 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 54.5 Cg_endo -69.69 170.97 15.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.403 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.08 152.18 22.75 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.553 0.692 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -29.83 22.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.299 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.78 -14.44 61.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.1 p -118.39 45.05 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -121.02 -27.89 4.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 38.65 32.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.37 -171.1 28.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -101.12 144.63 29.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.634 ' HA ' HG22 ' A' ' 98' ' ' THR . 80.2 mt -81.17 131.02 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.3 p -95.84 -34.22 11.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.0 162.57 33.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.495 ' O ' HG22 ' A' ' 72' ' ' VAL . 56.5 m-85 -108.78 138.38 45.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.934 0.397 . . . . 0.0 110.886 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.631 ' HB2' HD11 ' A' ' 97' ' ' LEU . 23.6 tttt -100.76 99.23 9.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.808 HD11 ' CH2' ' A' ' 39' ' ' TRP . 37.1 mt -93.2 111.93 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -112.36 136.32 51.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -135.45 143.83 46.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.412 ' NH1' ' OD1' ' A' ' 91' ' ' ASN . 18.3 ptt85 -132.24 174.76 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -103.14 124.9 49.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.43 -46.71 13.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.1 t -65.49 -54.56 26.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -108.16 63.91 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -39.78 -49.28 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.1 m -45.28 -41.11 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.96 94.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.807 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.6 p -129.08 142.16 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.3 m -116.62 141.24 48.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.488 ' CD ' ' CE ' ' A' ' 55' ' ' LYS . 11.7 tt0 -99.88 133.25 44.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.3 m -128.62 127.34 42.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.5 tp -107.4 146.74 31.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 54' ' ' TYR . 17.1 m -138.05 179.63 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.176 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 m -73.59 166.73 22.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -77.19 -40.55 24.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.2 t -80.79 -1.84 44.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.722 0.296 . . . . 0.0 111.173 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.452 ' NE2' ' OE1' ' A' ' 79' ' ' GLN . 30.6 tt0 -90.84 113.43 25.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.8 mt -102.79 12.72 35.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.443 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 96.6 p -142.26 153.54 44.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.452 ' OE1' ' NE2' ' A' ' 76' ' ' GLN . 40.0 tp60 -157.32 140.31 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.548 HD11 ' OG ' ' A' ' 34' ' ' SER . 20.9 tp -107.99 117.82 35.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.2 mm -101.66 102.38 13.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -95.01 166.66 11.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.81 51.14 3.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.1 mt -117.42 171.26 8.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -108.11 129.87 55.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -57.69 157.29 7.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.25 51.55 7.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.2 m -145.3 124.48 12.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.758 0.313 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -69.34 128.55 36.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -127.64 134.8 49.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.983 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.488 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -99.22 147.82 24.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 91' ' ' ASN . 5.3 m-85 -142.69 154.87 44.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.585 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 8.4 ptm180 -150.5 125.21 9.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.66 HG22 HG12 ' A' ' 56' ' ' ILE . 97.1 t -103.19 133.71 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.63 142.2 45.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -87.53 139.77 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.696 ' CD2' HG22 ' A' ' 102' ' ' THR . 6.2 mt -121.43 140.2 52.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.634 HG22 ' HA ' ' A' ' 51' ' ' ILE . 43.6 p -138.95 173.67 11.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.405 ' H ' HG22 ' A' ' 99' ' ' ILE . 2.3 tt -56.55 -32.36 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.09 -17.54 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.76 -133.03 5.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.696 HG22 ' CD2' ' A' ' 97' ' ' LEU . 36.3 p -109.2 168.94 9.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.346 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -123.07 179.0 16.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.481 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.75 151.0 69.02 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.313 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.39 130.11 55.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.472 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 75.3 p -50.13 165.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.21 169.82 0.78 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.585 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 29.3 m95 -80.07 91.46 5.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.796 HD23 ' HG ' ' A' ' 27' ' ' LEU . 8.9 tp -85.97 111.77 20.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.1 m -90.45 138.62 31.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.483 ' HB2' HD12 ' A' ' 27' ' ' LEU . . . -134.76 130.92 36.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -98.14 113.04 24.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.458 HG23 HD11 ' A' ' 35' ' ' ILE . 0.8 OUTLIER -61.24 166.18 3.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -75.9 126.35 30.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -46.55 -23.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.766 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.415 ' HA ' ' CB ' ' A' ' 100' ' ' ASN . 13.1 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 146.62 61.07 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.268 . . . . 0.0 112.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.3 m -124.19 47.27 2.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.554 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -151.01 113.97 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.7 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -81.88 163.95 51.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.705 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.7 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.82 133.65 25.96 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -97.24 -175.33 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 52.86 38.84 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.7 tp -73.14 153.55 40.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -170.47 161.85 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.57 HD23 HG23 ' A' ' 37' ' ' ILE . 20.3 mt -131.29 98.16 4.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -85.29 84.51 7.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.9 t -52.55 94.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -65.11 -48.74 72.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -138.97 -175.65 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.522 ' O ' HG21 ' A' ' 113' ' ' THR . 52.8 p -76.81 -34.13 57.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.8 14.73 31.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.1 t -146.97 153.39 40.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.9 mt -149.8 110.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.468 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 3.3 ttm -78.33 143.79 36.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.57 HG23 HD23 ' A' ' 27' ' ' LEU . 5.2 mt -118.5 133.48 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.468 ' CD2' ' HG2' ' A' ' 36' ' ' MET . 90.7 m-70 -126.16 118.0 24.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.6 ' CH2' HD11 ' A' ' 56' ' ' ILE . 41.3 p90 -131.98 176.65 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -134.88 152.11 76.82 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 140.69 43.28 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 170.96 15.3 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.277 . . . . 0.0 112.382 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.1 152.22 15.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.582 0.706 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -29.53 23.68 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.31 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.17 -30.69 65.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.554 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 71.1 p -100.13 39.28 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -110.48 -51.62 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 63.06 35.56 12.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 145.72 -173.95 25.88 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -101.14 137.74 39.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.1 mt -74.84 142.52 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.5 p -112.34 -42.7 3.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.11 166.68 38.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -111.9 148.59 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 0.0 110.967 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -114.32 91.73 3.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.682 HG12 HG22 ' A' ' 94' ' ' VAL . 58.7 mt -85.96 121.34 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -121.08 136.81 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.577 ' CE1' ' HB ' ' A' ' 68' ' ' THR . 11.7 p90 -137.3 147.83 45.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.482 ' HB3' HG22 ' A' ' 67' ' ' VAL . 35.6 ptt180 -141.25 163.19 33.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -79.6 141.73 36.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.2 13.52 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.2 m -120.56 -31.58 4.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.0 ttt85 -105.26 -32.87 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 40.45 36.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -134.34 -38.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -88.75 113.31 24.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.482 HG22 ' HB3' ' A' ' 59' ' ' ARG . 10.4 t -121.33 143.12 34.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.577 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 34.6 m -115.07 140.92 48.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -98.57 131.49 44.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.0 m -126.39 110.28 13.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.465 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -95.53 129.56 42.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.465 ' N ' HD13 ' A' ' 71' ' ' LEU . 30.5 m -125.5 176.65 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.6 t -75.58 156.28 35.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.51 -58.39 14.59 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t -58.84 -32.1 69.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.723 0.297 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -60.78 114.87 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.413 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 77.9 mt -106.01 25.48 10.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 48.0 m -158.65 164.16 36.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.437 ' HB2' HG11 ' A' ' 72' ' ' VAL . 39.8 tp60 -162.19 141.65 9.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 tp -102.76 110.25 22.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.5 mm -90.18 98.5 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -96.03 165.66 12.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.82 44.39 4.52 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.1 mt -119.3 172.5 7.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -109.66 155.98 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.0 ptt85 -79.09 158.17 27.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.06 53.51 18.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.6 m -150.19 129.12 12.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.762 0.315 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.417 ' CG ' ' OG ' ' A' ' 110' ' ' SER . 31.7 tt0 -75.5 138.85 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -137.36 149.73 47.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -111.03 145.03 39.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.544 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 76.8 m-85 -139.48 153.47 47.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.493 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 4.6 ptm85 -156.86 130.08 7.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.682 HG22 HG12 ' A' ' 56' ' ' ILE . 94.6 t -102.82 148.24 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.7 140.5 27.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.048 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.2 146.93 23.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.61 ' CD2' HG23 ' A' ' 102' ' ' THR . 14.3 mt -123.78 137.93 54.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 47.8 p -137.14 170.28 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.0 tt -56.98 -19.32 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.415 ' CB ' ' HA ' ' A' ' 17' ' ' VAL . 32.3 m-80 -72.66 -15.11 61.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 134.64 -104.28 0.51 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.61 HG23 ' CD2' ' A' ' 97' ' ' LEU . 1.7 m -128.92 151.0 50.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 111.164 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -107.92 -177.82 22.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.465 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.3 Cg_endo -69.78 166.0 29.09 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.329 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.432 ' HB3' HH21 ' A' ' 93' ' ' ARG . . . -127.69 125.59 40.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.061 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 77.0 p -46.24 160.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -57.32 177.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.493 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 25.9 m95 -87.18 99.02 11.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.1 tp -97.37 114.03 25.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.417 ' OG ' ' CG ' ' A' ' 89' ' ' GLU . 5.6 t -88.95 154.49 20.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.07 130.0 14.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -98.31 117.08 31.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.522 HG21 ' O ' ' A' ' 32' ' ' SER . 1.9 p -62.35 168.96 3.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 115' ' ' GLU . 70.5 m-85 -81.8 120.96 25.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 114' ' ' PHE . 54.7 mt-10 -37.16 -37.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.79 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.61 0.719 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.5 63.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.268 . . . . 0.0 112.337 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.0 t -117.25 33.64 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.491 ' C ' ' CG ' ' A' ' 104' ' ' PRO . . . -129.09 134.86 48.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.696 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -115.99 163.86 19.82 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.582 0.706 . . . . 0.0 111.099 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.696 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.76 142.37 47.74 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.268 . . . . 0.0 112.333 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -110.23 -175.53 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 53.78 29.1 9.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 26' ' ' SER . 37.1 tp -59.79 156.13 14.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.404 ' N ' ' HG ' ' A' ' 25' ' ' LEU . 9.0 m -173.02 161.85 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.503 HD23 HG23 ' A' ' 37' ' ' ILE . 5.9 mt -133.79 102.74 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -87.69 87.91 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -53.05 105.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.482 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 10.7 mmm180 -78.59 -45.16 22.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -137.21 -175.7 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.5 p -81.7 -16.18 52.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.37 -10.41 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 p -124.15 142.42 51.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -134.46 129.1 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.482 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 6.1 tpt -89.35 137.74 32.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.627 ' CD1' HG21 ' A' ' 56' ' ' ILE . 4.2 mt -114.38 122.52 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -120.76 120.44 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.655 ' CH2' HD11 ' A' ' 56' ' ' ILE . 37.9 p90 -136.43 166.92 22.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -125.31 153.14 72.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.432 ' HD3' HD13 ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.84 144.35 53.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 170.77 15.77 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.342 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.6 145.01 71.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -31.96 19.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.361 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.02 73.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.6 p -80.31 -45.97 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -39.1 143.97 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -116.75 -16.54 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -163.52 156.25 27.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -55.55 133.93 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.475 HG21 ' CE1' ' A' ' 54' ' ' TYR . 65.5 mt -78.01 122.38 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.0 p -92.39 -29.83 16.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -179.41 169.93 41.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.437 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.48 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 41.6 m-85 -116.26 144.61 44.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 110.913 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -107.38 99.55 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.655 HD11 ' CH2' ' A' ' 39' ' ' TRP . 47.7 mt -93.9 116.7 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 69' ' ' GLU . 29.3 mtt-85 -120.47 146.48 46.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.534 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 1.8 p90 -147.37 157.14 43.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.43 ' HB3' HG22 ' A' ' 67' ' ' VAL . 9.9 ptp180 -142.49 178.98 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -99.61 131.63 45.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.53 -48.92 38.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.0 t -69.08 -39.38 79.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -125.68 84.3 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' SER . 1.8 mptp? -64.34 -46.86 81.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.589 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.5 m -34.69 -52.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -67.48 107.29 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 65' ' ' SER . 2.1 t -128.05 142.48 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.419 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 54.2 m -112.12 124.7 52.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 57' ' ' ARG . 4.3 tm-20 -89.83 129.13 36.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.4 m -127.82 128.1 44.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 54' ' ' TYR . 15.4 tp -107.81 141.5 39.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.74 HG11 ' HB2' ' A' ' 79' ' ' GLN . 9.3 m -127.73 -178.38 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 m -84.08 158.55 21.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.06 -52.48 47.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.9 t -68.16 -5.89 20.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 111.165 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -87.12 119.42 27.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.432 HD13 ' HD3' ' A' ' 41' ' ' PRO . 94.3 mt -107.7 13.66 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.432 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 18.2 m -152.62 152.72 32.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.74 ' HB2' HG11 ' A' ' 72' ' ' VAL . 16.6 tp60 -151.87 140.26 20.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 tp -100.66 125.53 47.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.508 HG13 HD11 ' A' ' 37' ' ' ILE . 12.9 mm -106.83 109.84 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -103.9 167.09 10.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.47 38.0 6.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.2 mt -114.72 167.93 10.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -105.51 159.78 15.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -80.53 165.85 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 39.28 51.62 2.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.1 m -147.81 121.57 9.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 111.141 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -68.45 140.38 55.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -135.91 147.95 48.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.9 134.53 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 91.1 m-85 -132.13 149.74 52.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.525 ' HD3' ' CZ2' ' A' ' 108' ' ' TRP . 34.0 ptt180 -154.12 132.2 11.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 106' ' ' THR . 20.6 t -106.73 148.24 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.93 143.21 30.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.37 141.56 28.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.555 ' CD2' HG23 ' A' ' 102' ' ' THR . 12.2 mt -120.09 132.98 55.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.8 p -133.63 173.03 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 tp -53.47 -34.99 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -61.41 -23.02 65.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.15 -125.91 3.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.555 HG23 ' CD2' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -103.17 148.59 25.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.119 -179.84 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -105.94 -173.05 23.56 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.491 ' CG ' ' C ' ' A' ' 20' ' ' ALA . 54.3 Cg_endo -69.68 163.24 38.94 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -112.55 166.88 10.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 94' ' ' VAL . 62.0 p -96.25 131.59 42.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -33.02 136.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.525 ' CZ2' ' HD3' ' A' ' 93' ' ' ARG . 59.1 m95 -55.61 104.7 0.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 109' ' ' LEU . 9.0 tp -100.4 119.14 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 91.2 p -87.93 148.25 24.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.2 128.55 15.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.057 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -100.16 115.37 29.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.7 p -62.26 170.4 2.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -81.36 126.38 31.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -41.81 -35.16 0.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.8 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.579 0.704 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 143.09 49.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.8 t -124.04 43.27 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -148.66 114.03 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.653 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -87.19 162.85 42.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.623 0.725 . . . . 0.0 111.093 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.653 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.8 Cg_endo -69.78 140.0 41.55 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.635 2.224 . . . . 0.0 112.407 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -104.26 -176.09 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 51.3 36.16 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.505 HD22 ' CB ' ' A' ' 106' ' ' THR . 54.9 tp -64.08 152.55 40.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.431 ' H ' HD12 ' A' ' 25' ' ' LEU . 66.2 p -165.35 155.08 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.416 ' CD1' ' HB2' ' A' ' 111' ' ' ALA . 15.5 mt -126.99 99.31 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -82.69 88.17 6.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.9 90.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.3 mmm-85 -61.44 -54.57 41.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -132.82 -177.27 4.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 p -74.43 -27.99 60.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -106.76 -6.03 18.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.4 m -124.61 143.82 50.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.645 HD11 HG23 ' A' ' 113' ' ' THR . 68.7 mt -143.41 117.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.4 tpp -82.69 136.75 34.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.671 ' CD1' HG21 ' A' ' 56' ' ' ILE . 20.0 mt -111.22 113.57 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -109.4 119.39 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.729 ' CH2' HD11 ' A' ' 56' ' ' ILE . 43.5 p90 -134.17 159.01 42.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 39' ' ' TRP . 1.4 mp0 -114.87 147.47 38.33 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 143.0 49.28 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 171.08 15.14 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.646 2.231 . . . . 0.0 112.391 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.93 154.01 10.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 111.062 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.33 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.15 -47.18 23.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.1 p -59.01 -46.76 87.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -59.73 99.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.4 -15.23 60.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -143.31 -150.94 5.38 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -110.48 145.36 37.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.58 ' HA ' HG22 ' A' ' 98' ' ' THR . 83.1 mt -91.19 131.61 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 68.1 p -101.46 -47.02 4.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.96 169.61 32.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.461 ' CE1' HG21 ' A' ' 51' ' ' ILE . 29.9 m-85 -118.83 127.7 53.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.978 0.418 . . . . 0.0 110.923 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.423 ' HE3' ' CD ' ' A' ' 69' ' ' GLU . 6.8 tttp -92.0 101.35 13.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.729 HD11 ' CH2' ' A' ' 39' ' ' TRP . 21.4 mt -99.81 115.23 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -115.0 144.09 44.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.584 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 49.2 p90 -140.06 154.76 47.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.652 ' HB3' HG22 ' A' ' 67' ' ' VAL . 34.2 ptt180 -147.16 179.49 7.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -90.65 148.77 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.56 -30.92 61.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.7 t -83.4 -55.81 4.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -68.49 -50.67 50.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.1 mttt 49.26 34.77 6.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.4 m -134.12 -36.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -90.39 111.03 22.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.652 HG22 ' HB3' ' A' ' 59' ' ' ARG . 12.0 t -118.39 138.95 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.438 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 25.4 m -108.4 139.91 42.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.423 ' CD ' ' HE3' ' A' ' 55' ' ' LYS . 30.0 tt0 -92.69 133.85 35.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.7 m -138.52 111.67 7.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.5 tp -98.63 146.23 26.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 54' ' ' TYR . 29.8 m -135.7 178.95 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.8 t -79.68 154.59 28.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.65 -61.11 7.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.434 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 t -61.56 -18.77 60.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.725 0.297 . . . . 0.0 111.122 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -72.96 111.17 7.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.2 mt -104.7 27.01 8.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.7 p -150.63 157.14 42.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -158.79 135.78 9.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 tp -105.34 111.43 24.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.4 mm -95.35 94.09 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -92.76 159.96 15.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.57 45.12 3.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 mt -116.94 -175.46 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -109.97 165.35 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 87' ' ' GLY . 14.9 ptt180 -90.04 163.54 14.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 86' ' ' ARG . . . 34.87 48.38 0.72 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.466 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 62.4 m -139.58 126.56 20.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 111.107 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -71.8 141.19 49.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -138.39 146.23 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.466 ' HB3' ' CE3' ' A' ' 108' ' ' TRP . 1.8 m-80 -107.86 134.56 50.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 33.7 m-85 -128.4 162.92 26.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.568 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 11.3 ptm180 -157.04 124.32 5.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.669 HG22 HG12 ' A' ' 56' ' ' ILE . 84.9 t -102.97 134.71 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.86 146.03 50.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.18 136.68 36.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 102' ' ' THR . 6.9 mt -113.38 145.29 41.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.58 HG22 ' HA ' ' A' ' 51' ' ' ILE . 75.6 p -140.62 173.4 11.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 100' ' ' ASN . 4.5 tp -51.3 -39.79 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.155 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.413 ' N ' HG23 ' A' ' 99' ' ' ILE . 3.6 m120 -59.54 -24.55 63.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.96 -123.66 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.415 ' HA ' HD23 ' A' ' 97' ' ' LEU . 63.2 p -101.54 169.84 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 111.165 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.15 -170.48 12.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.521 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 53.3 Cg_endo -69.8 168.73 20.75 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.307 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -125.76 158.05 35.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.505 ' CB ' HD22 ' A' ' 25' ' ' LEU . 80.9 p -83.23 128.83 34.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.4 OUTLIER -33.96 139.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.568 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 38.8 m95 -49.13 106.26 0.1 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.8 tp -102.13 116.84 33.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 53.7 p -84.06 144.5 29.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.416 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . . . -144.71 128.95 17.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -104.43 118.76 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.645 HG23 HD11 ' A' ' 35' ' ' ILE . 1.8 p -68.26 172.35 5.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -84.35 115.33 22.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -39.73 -34.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.9 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.803 -179.757 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.614 0.721 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HA ' ' ND2' ' A' ' 48' ' ' ASN . 53.2 Cg_endo -69.8 161.83 44.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.3 t -128.62 16.38 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.655 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -108.98 131.33 55.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.096 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.03 161.8 21.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.77 142.95 49.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.703 2.268 . . . . 0.0 112.38 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -108.36 177.77 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 62.57 29.3 16.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.0 tp -64.22 149.99 46.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -169.05 156.16 7.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.547 ' CD2' HG23 ' A' ' 37' ' ' ILE . 54.7 mt -125.51 95.89 4.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ARG . 12.4 tp10 -80.5 86.53 5.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.0 t -51.49 88.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.463 ' HG3' ' CD1' ' A' ' 80' ' ' LEU . 31.3 mmt180 -59.19 -49.06 79.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -143.29 178.52 7.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.8 p -74.08 -6.57 48.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -127.24 -0.74 6.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.1 t -134.51 150.18 50.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.6 mt -146.27 115.82 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.1 tpp -82.88 128.87 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.8 HD12 HG21 ' A' ' 56' ' ' ILE . 3.8 mt -103.02 118.1 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -110.75 116.76 31.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.598 ' CH2' HD11 ' A' ' 56' ' ' ILE . 43.8 p90 -129.97 179.64 5.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.465 ' O ' ' CB ' ' A' ' 22' ' ' PRO . 28.1 mt-30 -147.65 153.59 43.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 143.65 51.58 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.391 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 171.03 15.24 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.329 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.78 153.14 23.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -34.52 14.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.264 . . . . 0.0 112.321 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.36 -32.49 74.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.655 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 8.5 p -79.37 -29.25 42.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -57.5 145.99 31.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' A' ' 18' ' ' PRO . 40.1 m-20 -116.47 -18.97 10.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -151.77 -136.69 2.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.436 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -120.66 128.99 53.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.809 0.337 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.1 mt -76.82 121.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.3 p -101.08 -32.37 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.95 169.33 42.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.406 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 48.4 m-85 -117.33 155.94 28.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.409 . . . . 0.0 110.93 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -119.64 105.61 11.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.8 HG21 HD12 ' A' ' 37' ' ' ILE . 12.8 mt -97.07 124.49 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -127.45 150.18 49.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.502 ' N ' ' CD1' ' A' ' 58' ' ' TYR . 0.8 OUTLIER -149.88 161.82 41.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -151.27 176.27 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 61' ' ' ALA . 73.1 mttt -98.45 126.61 44.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' LYS . . . -35.54 -53.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.6 m -71.73 -46.09 59.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -104.34 73.39 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -68.6 -42.75 77.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -42.96 -44.76 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.83 109.27 7.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.8 t -125.43 143.48 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.405 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 15.4 m -108.4 135.44 49.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -98.4 122.66 41.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.2 m -127.46 101.24 6.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.501 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -88.4 126.66 35.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.501 ' N ' HD13 ' A' ' 71' ' ' LEU . 30.1 m -115.84 -176.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.7 t -86.9 162.71 17.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.92 -55.66 15.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.0 t -64.11 -11.84 33.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.721 0.296 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -82.84 115.32 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.1 mt -110.69 17.14 20.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.5 p -147.05 147.32 30.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -153.46 142.06 20.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.463 ' CD1' ' HG3' ' A' ' 30' ' ' ARG . 16.2 tp -107.07 125.02 50.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 30.4 mm -107.84 93.66 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.073 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -91.21 161.01 15.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.94 40.46 5.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.4 mt -106.49 -175.6 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.317 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -118.39 140.04 50.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -70.69 160.57 32.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.93 46.22 5.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 45.0 m -143.02 123.92 14.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.308 . . . . 0.0 111.182 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.77 132.71 49.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -128.1 143.18 51.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.469 ' O ' ' CB ' ' A' ' 58' ' ' TYR . 3.3 m120 -103.06 134.71 46.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -132.91 150.57 52.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.445 ' NH2' ' NE1' ' A' ' 108' ' ' TRP . 3.4 ptp180 -156.95 138.05 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.654 HG22 HG12 ' A' ' 56' ' ' ILE . 70.0 t -114.68 139.21 41.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.4 141.96 48.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.42 142.02 28.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.662 ' CD2' HG22 ' A' ' 102' ' ' THR . 5.3 mt -119.22 138.23 53.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 74.2 p -130.91 -179.34 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.1 tp -58.63 -33.95 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -68.36 -20.32 64.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 140.08 -137.4 8.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.662 HG22 ' CD2' ' A' ' 97' ' ' LEU . 45.3 p -89.99 167.57 12.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.152 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -122.38 -169.71 13.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.449 ' HG3' ' C ' ' A' ' 20' ' ' ALA . 54.1 Cg_endo -69.75 163.13 39.4 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.37 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.43 141.68 47.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 94' ' ' VAL . 68.3 p -70.58 138.19 50.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.59 138.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.445 ' NE1' ' NH2' ' A' ' 93' ' ' ARG . 54.3 m95 -54.0 106.11 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.3 tp -97.26 113.21 24.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 58.8 p -87.25 140.53 29.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.436 ' HB2' HD12 ' A' ' 27' ' ' LEU . . . -142.18 130.47 22.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -101.48 114.96 29.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.1 p -61.25 172.08 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.198 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 116' ' ' SER . 45.8 m-85 -85.0 123.98 31.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -38.62 -27.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 114' ' ' PHE . 8.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.658 0.742 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.72 67.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.357 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -122.33 35.59 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.694 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -124.32 128.27 48.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 104' ' ' PRO . . . -111.9 155.26 43.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.076 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 136.07 32.11 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.698 2.266 . . . . 0.0 112.329 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -104.41 178.97 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 61.77 27.6 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.0 tp -58.23 153.71 14.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -173.36 161.83 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.809 HD23 HG23 ' A' ' 37' ' ' ILE . 9.3 mt -134.42 103.39 5.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.81 92.02 8.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.76 94.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -71.53 -46.8 58.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -138.66 -176.64 4.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.2 p -82.67 -18.78 39.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -114.6 2.84 14.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.6 p -142.72 144.9 32.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.1 mt -140.75 135.15 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.5 tpp -98.81 138.7 35.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.809 HG23 HD23 ' A' ' 27' ' ' LEU . 2.0 mt -111.23 133.88 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -125.9 115.74 20.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.844 ' CH2' HD11 ' A' ' 56' ' ' ILE . 34.5 p90 -134.04 168.28 19.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -127.91 152.4 77.22 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.578 0.704 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 143.21 49.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.732 2.288 . . . . 0.0 112.281 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.486 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 53.8 Cg_endo -69.77 166.74 26.57 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.629 2.219 . . . . 0.0 112.353 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.45 153.31 20.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -29.54 23.79 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.8 -39.61 73.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.694 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 3.5 p -69.99 -40.07 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -51.39 151.52 2.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -125.46 31.15 5.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.0 -171.69 28.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.529 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -83.47 136.06 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.8 mt -80.35 140.89 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.9 p -109.24 -27.22 9.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.72 169.63 36.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -114.07 157.9 21.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.976 0.417 . . . . 0.0 110.916 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -116.96 97.98 6.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.844 HD11 ' CH2' ' A' ' 39' ' ' TRP . 29.5 mt -92.99 102.19 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.163 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -112.07 127.14 55.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.521 ' CZ ' ' HB ' ' A' ' 68' ' ' THR . 10.6 p90 -125.46 161.32 27.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -164.05 150.79 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 90' ' ' TYR . 13.8 mtmt -75.38 144.91 42.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.7 79.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.0 m -74.51 -47.65 31.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -107.56 71.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -61.7 -50.89 70.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 t -40.7 -41.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -73.21 105.51 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 58' ' ' TYR . 2.1 t -128.53 149.48 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.521 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 21.8 m -120.63 133.31 55.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -93.2 130.68 38.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.1 m -132.93 103.11 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.602 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.5 OUTLIER -85.73 135.26 33.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.602 ' N ' HD13 ' A' ' 71' ' ' LEU . 28.7 m -122.83 -179.16 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.1 m -84.87 147.65 26.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.55 -40.27 69.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.9 t -86.48 15.36 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.308 . . . . 0.0 111.175 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -101.09 124.73 47.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.1 mt -112.87 8.67 18.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 75.9 p -139.1 161.68 36.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -167.68 133.38 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.5 tp -99.89 110.59 22.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 48.3 mm -91.57 100.05 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -94.01 166.72 12.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.47 51.63 3.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.442 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.3 mt -120.3 173.83 6.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.792 0.33 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -104.44 163.5 12.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 87' ' ' GLY . 16.5 ptt180 -89.27 162.16 16.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 86' ' ' ARG . . . 35.36 54.87 0.97 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.406 HG21 ' HD3' ' A' ' 60' ' ' LYS . 27.9 m -149.88 134.58 17.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.724 0.297 . . . . 0.0 111.104 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -70.28 141.97 52.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.588 ' CE1' ' HG3' ' A' ' 60' ' ' LYS . 29.8 m-85 -135.05 137.54 43.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -97.22 136.19 38.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 98.9 m-85 -134.18 141.37 47.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.447 ' NE ' ' CZ2' ' A' ' 108' ' ' TRP . 23.5 ptt180 -149.16 137.82 21.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.9 t -114.71 143.78 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -143.44 147.21 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.22 142.49 27.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.562 ' CD2' HG23 ' A' ' 102' ' ' THR . 9.1 mt -119.5 133.6 55.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 62.1 p -136.49 174.77 10.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 tt -59.23 -20.14 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -80.75 -9.29 59.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 127.2 -138.68 10.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.562 HG23 ' CD2' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -95.69 151.32 19.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 111.143 -179.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -104.9 -169.93 24.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.479 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.7 157.86 59.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.96 138.03 51.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 107' ' ' ASP . 71.7 p -70.13 135.16 48.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.173 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.1 OUTLIER -33.97 141.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.447 ' CZ2' ' NE ' ' A' ' 93' ' ' ARG . 45.3 m95 -62.43 103.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.3 tp -94.45 116.71 29.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.4 m -88.74 143.99 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -140.97 132.42 26.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -99.01 113.47 25.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.44 166.14 4.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.147 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -78.45 127.6 32.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -46.46 -21.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.8 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.633 0.73 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 146.12 59.15 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 t -123.82 39.13 4.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 42' ' ' PRO . . . -124.08 110.41 14.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.619 ' HB2' ' HB2' ' A' ' 104' ' ' PRO . . . -94.85 158.47 35.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 111.075 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.524 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.3 Cg_endo -69.75 138.84 38.8 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -103.53 -176.29 3.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 47.9 41.44 14.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.464 HD22 ' HB ' ' A' ' 106' ' ' THR . 42.9 tp -67.46 157.24 34.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.405 ' N ' ' HG ' ' A' ' 25' ' ' LEU . 3.7 m -173.03 159.65 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.739 HD23 HG23 ' A' ' 37' ' ' ILE . 9.0 mt -128.54 104.98 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' ARG . 10.6 tp10 -85.67 81.79 8.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.6 t -52.91 88.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' GLU . 52.8 mmm-85 -57.59 -55.02 40.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -135.12 -177.62 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.6 p -75.03 -29.72 60.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -100.79 -15.3 17.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.8 p -120.99 139.67 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.669 HD12 HD13 ' A' ' 84' ' ' LEU . 90.8 mt -135.43 112.31 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.524 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 4.4 ttm -82.29 144.14 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.739 HG23 HD23 ' A' ' 27' ' ' LEU . 5.8 mt -116.49 133.1 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.524 ' CD2' ' HG2' ' A' ' 36' ' ' MET . 81.4 m-70 -125.54 121.47 33.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.809 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.789 ' CH2' HD11 ' A' ' 56' ' ' ILE . 39.2 p90 -138.65 156.11 47.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -112.21 148.45 39.12 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 144.48 54.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.452 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 54.0 Cg_endo -69.8 168.98 20.05 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.11 150.67 19.72 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 0.0 111.055 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -39.74 6.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.53 -45.63 91.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.8 p -64.28 -34.08 77.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -58.26 117.53 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -79.35 -30.54 42.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.7 178.16 28.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -72.25 127.9 34.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.631 ' HA ' HG22 ' A' ' 98' ' ' THR . 89.4 mt -71.22 149.63 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 39.5 p -117.82 -41.56 2.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.29 176.74 39.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.403 ' CD2' ' NE1' ' A' ' 39' ' ' TRP . 2.6 m-85 -124.57 140.33 53.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.977 0.418 . . . . 0.0 110.868 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -101.2 101.35 12.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.789 HD11 ' CH2' ' A' ' 39' ' ' TRP . 30.1 mt -98.1 108.36 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -109.78 136.79 48.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.453 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 51.1 p90 -137.46 138.51 39.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.517 ' NE ' ' CH2' ' A' ' 108' ' ' TRP . 11.3 ptp180 -126.95 -179.91 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -100.74 139.22 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.26 -50.79 71.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.9 t -47.84 -33.36 7.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -145.17 112.38 6.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.99 1.58 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -85.52 -41.08 15.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.9 98.95 2.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.414 ' HB ' ' HB3' ' A' ' 59' ' ' ARG . 1.9 p -129.05 134.73 63.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.8 m -114.59 144.77 42.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -99.6 147.78 25.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.0 m -146.03 117.62 8.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.8 tp -94.5 153.8 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.6 m -147.66 175.24 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 t -80.19 154.71 27.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.63 -54.7 35.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 t -66.2 -12.11 54.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.701 0.286 . . . . 0.0 111.09 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -81.19 110.73 16.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.4 mt -105.68 25.64 10.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.8 p -153.3 148.8 27.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 80' ' ' LEU . 5.9 tp-100 -149.26 139.85 22.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.482 ' N ' ' OE1' ' A' ' 79' ' ' GLN . 28.4 tp -108.52 109.35 20.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.4 mm -97.28 107.28 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -103.52 165.86 10.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.92 42.28 5.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.669 HD13 HD12 ' A' ' 35' ' ' ILE . 4.5 mt -116.52 169.8 9.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -101.98 149.25 24.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -76.08 162.99 27.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.4 51.56 7.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 34.1 m -147.15 130.58 16.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.757 0.313 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -74.11 131.17 41.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -125.65 148.6 48.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.48 139.72 44.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 95.1 m-85 -135.1 152.92 52.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.706 HH21 ' HB2' ' A' ' 105' ' ' ALA . 11.4 ptm180 -154.29 131.83 11.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.522 HG22 HG12 ' A' ' 56' ' ' ILE . 71.4 t -111.5 140.6 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -143.06 144.86 32.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -87.64 144.65 26.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.4 mt -122.91 134.63 54.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.631 HG22 ' HA ' ' A' ' 51' ' ' ILE . 63.3 p -133.44 173.21 11.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 16.9 tt -51.55 -37.08 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -57.42 -24.08 53.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.15 -101.81 0.28 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.446 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.2 p -120.87 176.97 5.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 111.139 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -134.83 -173.8 13.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.619 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 53.9 Cg_endo -69.79 152.95 69.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.371 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.706 ' HB2' HH21 ' A' ' 93' ' ' ARG . . . -114.8 147.98 39.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.476 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 67.8 p -74.66 133.55 42.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.38 138.6 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.517 ' CH2' ' NE ' ' A' ' 59' ' ' ARG . 38.7 m95 -51.36 104.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.1 tp -98.74 112.63 24.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.3 m -81.67 147.65 29.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.88 130.26 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.044 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -99.62 122.26 42.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.576 HG23 HD11 ' A' ' 35' ' ' ILE . 1.4 p -68.92 170.72 9.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -84.0 121.39 27.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -38.16 -37.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.808 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.2 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.615 0.721 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 141.77 46.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.4 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -116.03 58.8 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.484 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -148.47 124.16 10.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.69 158.0 33.81 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.582 0.706 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.78 132.4 23.22 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.727 2.285 . . . . 0.0 112.301 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -100.92 -177.26 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 51.41 36.59 16.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.485 HD12 ' H ' ' A' ' 26' ' ' SER . 61.8 tp -63.2 157.54 22.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.485 ' H ' HD12 ' A' ' 25' ' ' LEU . 5.3 p -167.92 152.95 6.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.64 HD23 HG23 ' A' ' 37' ' ' ILE . 19.7 mt -125.0 95.69 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -81.35 91.46 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.35 89.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -61.33 -52.11 66.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -134.34 177.95 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 93.8 p -75.61 -20.01 58.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' LEU . 16.9 ptmt -109.8 -14.79 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 p -123.81 143.92 50.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.573 HD11 HG23 ' A' ' 113' ' ' THR . 94.1 mt -135.23 117.47 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.547 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 5.0 ttm -84.28 135.06 34.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.684 HD12 HG21 ' A' ' 56' ' ' ILE . 10.4 mt -108.74 127.5 65.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.547 ' CD2' ' HG2' ' A' ' 36' ' ' MET . 86.8 m-70 -119.56 123.97 45.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.572 ' CH2' HD11 ' A' ' 56' ' ' ILE . 42.2 p90 -139.71 174.36 10.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -131.58 153.58 81.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.603 0.716 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.42 45.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.319 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 170.32 16.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.06 152.83 48.91 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.558 0.695 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -46.62 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.22 -50.47 20.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.043 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.459 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 35.0 p -64.14 -46.14 85.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -45.24 122.17 3.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -100.64 35.11 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 157.09 -138.05 5.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.512 ' O ' HG22 ' A' ' 98' ' ' THR . 15.5 tt0 -124.24 138.91 54.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.759 0.314 . . . . 0.0 110.915 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.557 HD13 ' OH ' ' A' ' 54' ' ' TYR . 76.7 mt -78.52 127.74 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.1 p -104.14 -38.6 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.49 ' C ' HD12 ' A' ' 97' ' ' LEU . . . -164.96 170.63 40.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.557 ' OH ' HD13 ' A' ' 51' ' ' ILE . 92.9 m-85 -122.24 142.1 50.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.42 . . . . 0.0 110.929 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.58 ' HE3' HD21 ' A' ' 97' ' ' LEU . 15.2 ttmt -105.82 100.98 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.684 HG21 HD12 ' A' ' 37' ' ' ILE . 65.3 mt -96.72 113.03 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -115.01 137.79 51.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.589 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 53.3 p90 -135.49 140.5 44.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.3 ptt85 -128.78 177.91 6.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -100.29 137.91 38.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.79 -45.94 64.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -86.18 -52.6 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -93.45 47.64 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -41.7 -40.87 2.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.5 t -46.71 -43.99 18.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -75.46 95.33 3.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.7 p -127.0 139.74 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.9 m -113.48 146.45 39.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -104.67 131.66 51.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.9 m -120.11 142.7 48.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.168 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.737 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.5 OUTLIER -122.54 135.41 54.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.737 ' N ' HD13 ' A' ' 71' ' ' LEU . 34.7 m -128.06 178.84 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 m -80.88 167.38 19.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.6 -57.45 7.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.3 t -60.68 -24.76 65.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.705 0.288 . . . . 0.0 111.131 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.499 ' NE2' ' OE1' ' A' ' 79' ' ' GLN . 21.8 tt0 -70.48 114.24 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.7 mt -105.18 27.57 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.534 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 35.3 m -164.31 152.61 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.518 ' HB2' HG11 ' A' ' 72' ' ' VAL . 32.5 tp60 -143.83 160.82 40.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.9 tp -120.69 108.07 13.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.0 mm -95.55 99.96 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -97.94 165.17 12.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.38 49.39 3.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' LYS . 8.6 mt -120.3 -178.3 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.788 0.328 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -115.66 147.01 41.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -73.69 162.06 29.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 42.96 49.41 6.25 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.6 m -146.38 126.54 13.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 111.166 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -69.9 142.98 52.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -143.06 137.82 29.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.51 153.07 18.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 68.1 m-85 -148.68 151.22 34.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.584 ' HD2' ' CZ2' ' A' ' 108' ' ' TRP . 14.5 ptm180 -151.74 126.57 9.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.51 HG22 HG12 ' A' ' 56' ' ' ILE . 84.5 t -102.91 130.17 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.71 148.18 51.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.054 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.426 ' HA ' ' CD1' ' A' ' 54' ' ' TYR . . . -90.5 151.53 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.58 HD21 ' HE3' ' A' ' 55' ' ' LYS . 6.4 mt -128.76 140.29 51.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 50' ' ' GLN . 72.8 p -141.82 179.53 6.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.4 tt -60.29 -31.37 48.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -67.23 -18.97 65.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.33 -122.23 2.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.428 HG22 ' CD2' ' A' ' 97' ' ' LEU . 20.9 p -107.41 165.53 11.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 111.175 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -124.69 -173.9 13.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.484 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.7 Cg_endo -69.76 160.55 49.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.413 ' HB3' HH21 ' A' ' 93' ' ' ARG . . . -114.27 -179.54 3.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 107' ' ' ASP . 69.5 p -104.79 132.97 50.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.477 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.3 OUTLIER -32.0 130.63 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.584 ' CZ2' ' HD2' ' A' ' 93' ' ' ARG . 31.1 m95 -47.33 98.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.2 tp -96.23 116.14 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 81.5 p -88.11 151.74 22.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -148.34 130.37 15.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -98.25 119.56 37.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.573 HG23 HD11 ' A' ' 35' ' ' ILE . 1.1 p -65.07 168.07 7.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -74.16 112.19 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -45.46 -24.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 -179.811 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.628 0.728 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 149.09 66.51 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.647 2.232 . . . . 0.0 112.353 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 t -124.26 41.8 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.452 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -131.73 124.68 30.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.501 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.95 157.74 35.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.545 0.688 . . . . 0.0 111.099 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.73 140.81 43.72 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.373 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -108.23 -175.78 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 49.85 40.33 20.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -66.25 148.81 51.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -162.26 156.29 21.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 mt -128.88 102.06 6.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -88.01 79.19 8.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.9 102.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -70.02 -51.13 34.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -135.46 -175.09 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.563 ' O ' HG21 ' A' ' 113' ' ' THR . 48.8 p -79.18 -27.81 42.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -0.49 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.0 m -135.5 154.0 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -146.63 126.25 5.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.53 ' HE3' ' C ' ' A' ' 79' ' ' GLN . 5.7 tpt -89.79 138.75 31.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.505 ' CD1' HG21 ' A' ' 56' ' ' ILE . 9.7 mt -115.83 117.82 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.424 ' NE2' ' HG2' ' A' ' 36' ' ' MET . 91.3 m-70 -114.17 121.98 45.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.605 ' CH2' HD11 ' A' ' 56' ' ' ILE . 38.7 p90 -140.11 167.29 22.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -125.95 154.74 73.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.635 0.731 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 144.5 54.18 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 169.77 18.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.62 149.29 31.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 111.124 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -46.84 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.648 2.232 . . . . 0.0 112.295 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.25 -32.89 17.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' GLN . 36.1 p -81.15 -45.84 15.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' THR . 53.2 mt-30 -34.38 133.36 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -112.44 36.7 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.37 -163.84 26.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -92.75 130.12 38.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.744 0.306 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.8 mt -77.18 128.16 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.077 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.6 p -93.98 -42.69 8.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -167.26 175.64 42.33 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -116.59 138.54 51.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.943 0.401 . . . . 0.0 110.927 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.786 ' HE2' HD21 ' A' ' 97' ' ' LEU . 16.2 ttmm -103.24 92.45 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.738 HG12 HG22 ' A' ' 94' ' ' VAL . 53.8 mt -89.72 124.56 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -125.96 143.68 50.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.574 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 13.4 p90 -140.67 156.58 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -148.72 175.16 11.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -96.84 133.61 41.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.36 -47.65 9.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 t -71.71 -55.93 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -101.73 83.41 2.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -76.09 -43.5 43.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.9 t -39.0 -42.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -82.85 110.85 18.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -124.94 147.97 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.071 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.503 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 25.7 m -109.52 138.75 45.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -97.0 139.87 32.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.2 m -137.25 118.22 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.171 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.52 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -107.17 127.8 53.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.52 ' N ' HD13 ' A' ' 71' ' ' LEU . 21.0 m -124.19 178.51 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -74.61 156.64 36.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.13 -56.25 21.57 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.8 t -65.06 -16.5 63.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 111.154 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -73.8 111.89 9.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.8 mt -104.04 28.91 6.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.0 p -150.27 152.18 34.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.551 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -152.84 131.73 12.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.898 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.551 ' N ' ' CD ' ' A' ' 79' ' ' GLN . 41.1 tp -109.52 109.9 20.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.3 mm -92.02 104.05 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -96.94 161.17 13.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.64 41.33 4.18 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mt -113.82 174.98 5.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.799 0.333 . . . . 0.0 110.933 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -113.97 160.27 19.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -84.21 160.41 20.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 47.47 51.35 16.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.41 ' HB ' ' CE2' ' A' ' 90' ' ' TYR . 31.7 m -149.98 139.14 21.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 111.161 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -85.61 142.4 29.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.41 ' CE2' ' HB ' ' A' ' 88' ' ' THR . 95.9 m-85 -142.96 137.34 29.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.415 ' CB ' ' CE3' ' A' ' 108' ' ' TRP . 0.6 OUTLIER -96.07 148.73 22.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 50.9 m-85 -142.16 154.75 45.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -152.74 137.51 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.738 HG22 HG12 ' A' ' 56' ' ' ILE . 84.1 t -111.28 136.7 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 105' ' ' ALA . . . -135.81 150.23 49.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.15 149.0 22.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.786 HD21 ' HE2' ' A' ' 55' ' ' LYS . 12.6 mt -124.19 137.04 54.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 74.5 p -136.64 170.07 16.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.0 tt -53.47 -33.32 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -65.71 -20.35 66.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 128.81 -167.36 20.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.661 ' HA ' HD23 ' A' ' 97' ' ' LEU . 17.2 p -50.56 159.4 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.824 0.345 . . . . 0.0 111.142 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -126.87 -174.41 13.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.452 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.6 Cg_endo -69.72 155.87 64.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 95' ' ' ALA . . . -121.85 154.07 37.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.462 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 74.6 p -76.43 168.7 19.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -62.1 170.95 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.415 ' CE3' ' CB ' ' A' ' 91' ' ' ASN . 22.5 m95 -87.44 93.54 9.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.0 tp -86.12 116.78 24.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 62.8 p -85.68 131.74 34.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -132.55 128.95 38.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -102.0 117.04 33.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.563 HG21 ' O ' ' A' ' 32' ' ' SER . 2.7 p -59.31 169.96 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' GLU . 63.5 m-85 -77.93 115.94 18.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' PHE . 1.6 tt0 -34.17 -38.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 114' ' ' PHE . 3.0 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.65 0.738 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 130.18 18.94 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.393 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.7 p -107.98 51.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.583 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -164.05 131.5 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.788 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -104.97 166.52 11.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.573 0.701 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.788 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.77 133.44 25.56 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -101.19 179.6 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 58.45 36.57 25.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.2 tp -66.46 150.61 48.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.0 m -168.07 168.89 11.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.457 HD23 HG23 ' A' ' 37' ' ' ILE . 13.4 mt -138.87 108.69 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.7 tp10 -91.74 83.91 5.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.4 t -52.28 88.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.102 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' GLU . 23.2 mmm180 -58.39 -54.36 47.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -136.89 -176.04 4.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.607 ' O ' HG21 ' A' ' 113' ' ' THR . 59.9 p -74.73 -21.93 59.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -114.42 -6.59 12.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 p -125.35 133.46 52.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.521 HD12 HD13 ' A' ' 84' ' ' LEU . 92.2 mt -133.66 115.6 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.415 ' HG2' ' NE2' ' A' ' 38' ' ' HIS . 1.7 ttm -86.71 147.1 26.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.457 HG23 HD23 ' A' ' 27' ' ' LEU . 12.5 mt -114.46 144.47 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.415 ' NE2' ' HG2' ' A' ' 36' ' ' MET . 90.4 m-70 -135.05 114.92 12.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.889 ' CH2' HD11 ' A' ' 56' ' ' ILE . 38.8 p90 -133.57 171.56 13.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -129.39 154.49 80.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.536 0.684 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.31 50.55 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.377 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.97 17.67 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.372 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.16 149.57 24.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.54 0.686 . . . . 0.0 111.058 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -38.28 7.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.636 2.224 . . . . 0.0 112.39 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.75 -25.9 67.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.583 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 39.9 p -95.97 21.34 8.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -112.84 74.8 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.11 -17.92 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.51 177.1 28.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -81.64 154.04 26.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.7 mt -93.53 139.35 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 76.0 p -109.5 -33.67 6.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.86 166.25 36.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.473 ' O ' HD13 ' A' ' 71' ' ' LEU . 98.6 m-85 -111.89 142.38 44.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.958 0.409 . . . . 0.0 110.926 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -101.51 95.59 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.889 HD11 ' CH2' ' A' ' 39' ' ' TRP . 36.0 mt -88.57 113.89 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -120.95 134.45 55.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.584 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 18.3 p90 -136.65 147.27 46.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -136.25 178.58 6.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 61' ' ' ALA . 32.4 mtpt -96.67 125.99 41.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 60' ' ' LYS . . . -34.68 -47.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -80.81 -48.92 11.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -98.08 88.12 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -76.25 -48.61 19.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.481 ' O ' HG23 ' A' ' 67' ' ' VAL . 47.6 m -41.72 -47.79 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -70.95 103.36 2.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 65' ' ' SER . 2.2 t -124.25 148.07 28.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 95.1 m -114.65 133.53 55.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.52 132.72 40.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.9 m -143.0 106.7 4.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.174 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 54' ' ' TYR . 3.5 mm? -86.94 156.74 19.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 54' ' ' TYR . 31.6 m -138.46 171.92 14.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 p -68.38 151.24 47.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.52 -34.04 54.77 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -93.49 1.0 56.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.71 0.29 . . . . 0.0 111.083 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.424 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 5.0 tt0 -72.25 119.49 16.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.7 mt -108.93 9.5 26.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -161.96 154.3 19.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.404 ' HB3' HD13 ' A' ' 56' ' ' ILE . 19.9 tp60 -145.81 149.04 33.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' A' ' 79' ' ' GLN . 18.7 tp -106.19 114.1 28.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.9 mm -100.87 106.63 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -104.97 160.43 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.59 48.67 2.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.521 HD13 HD12 ' A' ' 35' ' ' ILE . 2.2 mt -126.31 164.21 21.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.82 153.76 18.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.407 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 13.6 ptt180 -75.06 161.41 29.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 43.51 58.76 3.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.51 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 31.2 m -152.12 119.38 5.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.763 0.316 . . . . 0.0 111.168 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.41 139.59 58.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 88' ' ' THR . 91.6 m-85 -138.8 147.07 42.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -105.03 145.75 30.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 79.6 m-85 -142.3 138.41 31.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.556 ' HD3' ' CZ2' ' A' ' 108' ' ' TRP . 28.5 ptt180 -143.69 130.18 20.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.592 HG22 HG12 ' A' ' 56' ' ' ILE . 90.4 t -103.52 139.77 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.34 144.76 44.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.44 145.75 24.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.46 ' CD1' HD11 ' A' ' 71' ' ' LEU . 11.8 mt -125.44 140.31 52.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.9 p -139.51 172.08 13.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.1 tp -54.27 -35.61 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -63.57 -21.67 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 140.9 -139.36 9.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.426 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.8 p -89.65 169.95 10.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 111.139 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -127.62 -170.56 12.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.553 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.72 158.54 56.67 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.321 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.8 134.16 55.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.054 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 94' ' ' VAL . 70.3 p -61.59 155.85 21.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -50.42 170.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.556 ' CZ2' ' HD3' ' A' ' 93' ' ' ARG . 23.1 m95 -87.37 93.86 9.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.0 tp -89.63 119.42 30.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.8 m -92.01 144.4 25.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.65 131.76 20.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -105.3 118.08 35.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.607 HG21 ' O ' ' A' ' 32' ' ' SER . 0.8 OUTLIER -56.76 172.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 116' ' ' SER . 48.0 m-85 -84.95 116.65 23.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 114' ' ' PHE . 31.0 mt-10 -36.5 -33.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' PHE . 16.0 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.67 0.747 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 151.24 69.54 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.383 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 p -126.12 42.16 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.475 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -135.58 133.28 38.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.662 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -115.68 162.81 23.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.703 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.662 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.2 Cg_endo -69.79 134.38 27.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.64 2.227 . . . . 0.0 112.343 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -97.67 -174.92 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 43.28 49.33 5.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.7 tp -70.78 152.08 44.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -163.23 161.28 24.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.667 HD23 HG23 ' A' ' 37' ' ' ILE . 19.8 mt -133.2 101.88 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -82.6 91.45 6.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.87 90.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.457 ' HG3' ' CD1' ' A' ' 80' ' ' LEU . 14.3 mmm180 -60.47 -54.26 47.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -136.04 -175.61 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.444 ' O ' HG21 ' A' ' 113' ' ' THR . 54.3 p -74.73 -29.36 61.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -103.28 -16.54 15.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 p -115.84 139.87 49.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.72 HD12 HD13 ' A' ' 84' ' ' LEU . 91.6 mt -136.75 107.49 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.5 ttm -79.12 139.93 37.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.849 ' CD1' HG21 ' A' ' 56' ' ' ILE . 15.2 mt -107.89 142.54 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -133.83 115.97 15.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.694 ' CH2' HD11 ' A' ' 56' ' ' ILE . 42.9 p90 -132.33 164.54 26.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -118.31 152.82 51.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.69 48.59 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.722 2.281 . . . . 0.0 112.319 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 171.06 15.1 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.384 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.83 147.91 29.84 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.556 0.693 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -30.11 22.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.19 -52.76 24.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.155 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.421 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 43.3 p -56.79 -37.99 71.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -39.06 142.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -125.71 35.65 4.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 137.1 176.19 14.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -70.46 135.69 48.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 0.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.2 mt -80.91 121.33 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.8 p -85.08 -44.73 12.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.494 ' C ' HD12 ' A' ' 97' ' ' LEU . . . -164.95 167.36 38.62 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.547 ' O ' HG22 ' A' ' 72' ' ' VAL . 39.0 m-85 -112.06 129.19 56.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.94 0.4 . . . . 0.0 110.908 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.508 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 2.6 tptp -92.42 126.2 37.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.849 HG21 ' CD1' ' A' ' 37' ' ' ILE . 19.0 mt -123.36 121.31 62.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -119.23 152.56 36.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.506 ' CZ ' ' HB ' ' A' ' 68' ' ' THR . 49.5 p90 -156.96 140.56 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.741 ' HB3' HG22 ' A' ' 67' ' ' VAL . 20.7 ptt180 -136.26 174.43 10.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.41 ' HG2' ' CE1' ' A' ' 90' ' ' TYR . 28.8 mtpt -87.96 140.91 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.48 99.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.8 t -74.1 -59.58 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -58.55 -46.77 86.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm 43.99 25.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -132.83 -33.09 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -93.46 110.78 22.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.741 HG22 ' HB3' ' A' ' 59' ' ' ARG . 2.7 t -120.89 153.41 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.506 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 30.1 m -123.44 136.82 54.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.27 144.62 25.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.2 m -138.47 132.05 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.7 OUTLIER -116.55 130.19 56.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.83 ' N ' HD13 ' A' ' 71' ' ' LEU . 33.3 m -123.93 169.18 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.5 m -69.29 154.55 41.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.76 -50.4 63.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -83.52 33.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.728 0.299 . . . . 0.0 111.119 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -117.82 108.41 15.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.4 mt -102.08 31.34 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.6 p -159.63 160.58 34.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -162.54 153.59 17.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.457 ' CD1' ' HG3' ' A' ' 30' ' ' ARG . 22.2 tp -120.84 110.79 16.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.7 mm -98.18 105.09 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -102.26 163.3 12.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.25 43.09 4.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.444 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.72 HD13 HD12 ' A' ' 35' ' ' ILE . 6.8 mt -120.29 166.09 13.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -94.33 148.23 22.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -74.31 163.22 28.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 39.48 55.48 2.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.6 m -144.87 140.79 28.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.306 . . . . 0.0 111.129 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -81.68 128.94 34.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.41 ' CE1' ' HG2' ' A' ' 60' ' ' LYS . 67.1 m-85 -131.17 146.45 52.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -104.83 145.01 30.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -139.66 153.57 47.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -156.02 133.19 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.522 HG11 ' CG ' ' A' ' 39' ' ' TRP . 64.9 t -103.2 145.54 12.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.508 ' HB3' ' HB3' ' A' ' 55' ' ' LYS . . . -140.92 152.7 45.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.7 151.36 22.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.494 HD12 ' C ' ' A' ' 53' ' ' GLY . 6.8 mt -129.95 138.99 51.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -137.4 170.68 15.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 100' ' ' ASN . 9.0 tt -50.24 -40.1 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.406 ' N ' HG23 ' A' ' 99' ' ' ILE . 45.5 m-80 -56.18 -25.43 46.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.26 -130.03 4.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.464 HG23 ' CD2' ' A' ' 97' ' ' LEU . 2.0 m -94.91 151.86 18.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.822 0.344 . . . . 0.0 111.144 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -109.67 -176.54 21.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.501 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.475 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.3 Cg_endo -69.81 161.28 46.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.692 2.262 . . . . 0.0 112.337 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.77 141.34 51.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.3 p -66.04 167.09 10.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.24 177.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -87.5 96.81 10.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.1 tp -92.9 114.8 27.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.6 t -85.65 157.62 20.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.93 128.69 10.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -97.99 117.08 31.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.444 HG21 ' O ' ' A' ' 32' ' ' SER . 2.9 p -66.76 167.84 10.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 115' ' ' GLU . 50.5 m-85 -82.52 113.67 20.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 114' ' ' PHE . 22.5 mt-10 -34.56 -38.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.809 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.595 0.712 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 137.26 34.92 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 t -117.5 35.97 4.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.431 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -131.65 135.74 47.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.667 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -119.87 162.78 31.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.712 . . . . 0.0 111.113 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.667 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.72 130.07 18.74 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.746 2.297 . . . . 0.0 112.309 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -99.11 -175.18 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 53.93 41.83 31.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.3 141.45 58.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 m -155.65 156.97 35.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.456 HD23 HG23 ' A' ' 37' ' ' ILE . 12.9 mt -131.98 102.01 5.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -89.98 76.65 7.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.9 t -48.62 99.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.474 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 14.1 mmm180 -68.06 -49.4 61.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.45 ' OD1' ' C ' ' A' ' 30' ' ' ARG . 4.3 m-20 -134.21 -175.44 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.506 ' O ' HG21 ' A' ' 113' ' ' THR . 86.3 p -78.67 -23.27 45.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.533 ' O ' HD12 ' A' ' 84' ' ' LEU . 5.3 ptpp? -106.79 -19.58 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 p -115.59 148.05 40.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.5 mt -139.32 126.09 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.506 ' HE3' ' C ' ' A' ' 79' ' ' GLN . 5.6 tpt -90.57 136.32 33.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.518 ' CD1' HG21 ' A' ' 56' ' ' ILE . 6.4 mt -112.0 128.6 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -124.61 119.13 28.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.431 ' CH2' HD11 ' A' ' 56' ' ' ILE . 36.1 p90 -137.85 166.38 24.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -119.86 150.2 50.19 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.579 0.704 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 144.94 55.33 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 171.42 14.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.41 149.42 20.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.565 0.697 . . . . 0.0 111.14 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -23.86 30.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.71 -36.08 29.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 47' ' ' GLN . 49.1 p -81.49 -35.61 30.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 46' ' ' THR . 19.9 mt-30 -28.98 -42.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 46' ' ' THR . 25.3 t-20 63.78 35.59 11.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 129.16 -179.64 16.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -83.72 139.33 32.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.609 HG21 ' CE1' ' A' ' 54' ' ' TYR . 46.2 mt -87.13 142.83 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.6 p -110.16 -41.98 4.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.455 ' C ' HD12 ' A' ' 97' ' ' LEU . . . -165.01 168.29 39.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.501 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.609 ' CE1' HG21 ' A' ' 51' ' ' ILE . 2.2 m-85 -118.52 137.27 53.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.93 0.395 . . . . 0.0 110.939 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -99.73 94.21 6.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.518 HG21 ' CD1' ' A' ' 37' ' ' ILE . 59.9 mt -87.44 120.45 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -118.59 148.78 42.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.578 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 33.0 p90 -150.5 148.63 28.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.658 ' HB3' HG22 ' A' ' 67' ' ' VAL . 27.3 ptt180 -141.24 -179.8 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -94.97 142.5 27.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.403 ' HB3' ' HB3' ' A' ' 89' ' ' GLU . . . -75.64 -12.01 60.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.05 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.2 t -97.53 -45.89 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -85.78 -44.77 12.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? 49.03 32.83 4.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 m -133.41 -34.15 1.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -91.38 111.87 23.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.658 HG22 ' HB3' ' A' ' 59' ' ' ARG . 9.0 t -120.73 145.7 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.51 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 35.3 m -119.79 136.12 54.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -91.11 141.26 29.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.6 m -134.97 114.85 12.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.493 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -101.44 129.43 47.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.493 ' N ' HD13 ' A' ' 71' ' ' LEU . 26.9 m -121.45 -177.9 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m -82.36 148.01 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.94 -42.04 78.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.4 t -88.81 29.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.32 . . . . 0.0 111.129 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -117.65 112.42 20.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.8 mt -103.5 31.34 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 99.5 p -156.77 150.6 24.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.506 ' C ' ' HE3' ' A' ' 36' ' ' MET . 37.7 tp60 -152.51 136.1 16.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.409 ' N ' ' HE3' ' A' ' 36' ' ' MET . 55.4 tp -111.62 111.05 21.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.0 mm -95.18 119.29 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -110.41 160.95 16.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.57 48.77 2.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 33' ' ' LYS . 4.4 mt -123.44 165.94 16.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -103.81 155.34 18.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.8 ptt85 -79.66 159.52 26.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.53 53.59 20.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.0 m -153.35 129.36 10.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.733 0.301 . . . . 0.0 111.145 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.403 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 3.3 tp10 -73.34 142.83 47.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -142.45 136.43 29.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.42 146.63 25.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 52.8 m-85 -140.75 148.94 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -143.92 141.46 30.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.637 HG12 ' HG3' ' A' ' 22' ' ' PRO . 90.6 t -115.03 127.48 72.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.4 ' HB2' ' HB2' ' A' ' 105' ' ' ALA . . . -124.79 149.8 46.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.7 150.23 22.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 102' ' ' THR . 6.3 mt -130.11 137.21 50.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.1 p -136.6 171.6 14.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 100' ' ' ASN . 9.7 tt -49.19 -41.61 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.43 ' N ' HG23 ' A' ' 99' ' ' ILE . 48.0 m-20 -58.89 -25.66 63.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.8 -145.66 17.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.548 ' HA ' HD23 ' A' ' 97' ' ' LEU . 15.2 p -78.59 160.22 27.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 0.0 111.153 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -125.18 -166.92 12.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.431 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 54.0 Cg_endo -69.7 162.29 42.61 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.379 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.4 ' HB2' ' HB2' ' A' ' 95' ' ' ALA . . . -129.5 133.2 47.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 65.6 p -57.06 165.78 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -62.61 172.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -86.64 96.16 10.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 tp -87.92 113.75 23.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 72.9 m -80.35 145.21 32.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.404 ' HB2' HD13 ' A' ' 27' ' ' LEU . . . -143.13 129.98 20.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -104.5 116.75 32.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.506 HG21 ' O ' ' A' ' 32' ' ' SER . 5.6 p -62.91 171.11 2.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.145 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -87.84 121.9 30.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -40.08 -35.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.612 0.72 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.11 56.26 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -123.08 41.34 3.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.42 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -142.19 129.57 21.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.512 ' HB2' ' HB2' ' A' ' 104' ' ' PRO . . . -105.29 157.46 34.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.702 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.9 Cg_endo -69.84 133.32 25.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.64 2.227 . . . . 0.0 112.36 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -102.06 -177.2 3.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 54.34 42.74 31.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.64 HD23 HD22 ' A' ' 109' ' ' LEU . 38.5 tp -72.14 158.42 35.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.418 ' N ' ' HG ' ' A' ' 25' ' ' LEU . 3.6 m -173.73 156.66 2.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.618 HD23 HG23 ' A' ' 37' ' ' ILE . 36.5 mt -130.16 96.35 4.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.6 93.33 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.01 93.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 30' ' ' ARG . 1.8 mmp_? -67.18 -46.71 73.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -139.73 -177.45 4.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.413 ' O ' HG21 ' A' ' 113' ' ' THR . 75.1 p -75.59 -27.52 58.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -112.37 18.39 18.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 p -148.32 139.18 23.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.478 HD11 HG23 ' A' ' 113' ' ' THR . 96.7 mt -142.26 116.41 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.8 tpp -87.29 131.81 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.763 ' CD1' HG21 ' A' ' 56' ' ' ILE . 6.4 mt -102.61 132.1 49.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -124.69 115.43 20.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.78 ' CH2' HD11 ' A' ' 56' ' ' ILE . 42.6 p90 -130.17 164.55 24.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -124.66 154.16 70.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.6 0.714 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 144.45 53.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.643 2.229 . . . . 0.0 112.317 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.412 ' HG2' ' NE2' ' A' ' 47' ' ' GLN . 53.5 Cg_endo -69.81 169.36 19.16 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.84 152.97 45.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -43.46 2.61 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.299 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.51 -53.05 33.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.42 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 10.1 p -63.13 -52.1 63.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.412 ' NE2' ' HG2' ' A' ' 42' ' ' PRO . 53.7 mt-30 -50.77 116.97 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.89 51.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.5 -168.68 41.2 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -110.06 132.04 54.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.46 HD13 ' OH ' ' A' ' 54' ' ' TYR . 96.7 mt -86.65 139.37 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.4 p -118.94 -33.45 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -169.65 175.84 43.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.46 ' OH ' HD13 ' A' ' 51' ' ' ILE . 62.2 m-85 -128.28 140.8 51.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.899 0.38 . . . . 0.0 110.974 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.91 ' HD2' HD21 ' A' ' 97' ' ' LEU . 18.0 mttp -103.63 116.12 31.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.78 HD11 ' CH2' ' A' ' 39' ' ' TRP . 30.8 mt -109.44 99.15 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.44 ' NH1' ' HB2' ' A' ' 57' ' ' ARG . 10.0 mtm105 -100.99 140.1 35.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.491 ' O ' HG13 ' A' ' 67' ' ' VAL . 32.2 p90 -142.05 166.32 25.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -150.57 178.66 8.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -101.47 121.81 42.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.63 -39.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.3 m -62.4 -57.87 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 8.5 ptm180 -118.11 98.56 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -69.13 -4.12 16.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -77.29 -36.22 54.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -80.51 102.22 9.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 58' ' ' TYR . 2.4 t -125.0 146.48 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.3 m -124.61 146.19 49.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -102.55 146.81 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 93.5 m -140.07 111.71 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.708 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -96.05 133.79 39.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.708 ' N ' HD13 ' A' ' 71' ' ' LEU . 27.7 m -123.79 178.02 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.5 m -81.81 149.62 28.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.65 -36.45 59.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.7 t -94.67 23.48 5.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.752 0.31 . . . . 0.0 111.143 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -111.8 108.9 18.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.6 mt -104.04 31.04 4.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.4 p -159.42 151.48 20.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -159.03 135.41 9.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.2 tp -102.83 118.96 37.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.6 mm -104.21 98.35 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -96.38 166.9 11.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.47 37.92 7.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mt -109.07 176.14 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 0.0 110.92 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -104.75 154.54 19.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 87' ' ' GLY . 11.4 ptt180 -81.93 168.02 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' ARG . . . 35.41 52.17 1.0 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.1 m -148.54 135.68 20.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 0.0 111.147 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.39 143.6 40.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.532 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . 44.0 m-85 -135.81 138.79 42.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.511 ' HB3' ' CE3' ' A' ' 108' ' ' TRP . 1.3 m-80 -103.41 132.12 49.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 90' ' ' TYR . 69.7 m-85 -132.57 152.83 51.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.57 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 14.0 ptm180 -154.93 128.01 8.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.695 HG22 HG12 ' A' ' 56' ' ' ILE . 49.0 t -102.93 139.15 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.08 137.54 41.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.04 150.82 25.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.91 HD21 ' HD2' ' A' ' 55' ' ' LYS . 8.1 mt -127.64 144.38 51.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.9 p -141.51 174.04 10.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 tp -59.09 -30.5 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -66.88 -16.6 64.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.95 -139.01 10.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.461 ' HA ' HD23 ' A' ' 97' ' ' LEU . 24.0 p -86.53 163.11 17.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 111.149 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -126.81 -174.99 13.96 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.512 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.76 166.5 27.39 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.29 165.49 18.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.08 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.481 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 70.9 p -89.2 133.8 34.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.1 OUTLIER -36.91 144.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.57 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 42.6 m95 -55.63 103.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.64 HD22 HD23 ' A' ' 25' ' ' LEU . 9.6 tp -95.58 113.18 24.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 56.8 m -87.08 143.16 27.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.3 130.73 21.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -100.37 120.75 40.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.478 HG23 HD11 ' A' ' 35' ' ' ILE . 1.4 p -70.72 169.62 14.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -84.77 119.06 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -39.64 -34.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.833 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.8 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.629 0.728 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 153.34 68.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.647 2.232 . . . . 0.0 112.318 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 t -127.29 35.85 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -114.28 124.93 53.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.6 149.79 37.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.7 Cg_endo -69.7 135.51 30.79 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.333 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -102.49 175.65 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 58.77 43.22 18.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.3 tp -73.14 146.34 45.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -164.26 162.32 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.625 HD23 HG23 ' A' ' 37' ' ' ILE . 8.0 mt -134.96 103.61 5.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -84.48 93.06 8.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.473 HG12 ' CE2' ' A' ' 114' ' ' PHE . 93.2 t -58.38 94.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -70.21 -42.15 72.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -146.03 161.75 39.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.3 m -62.64 -14.34 42.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.54 -11.48 11.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 p -126.44 138.67 53.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.516 HD12 HD13 ' A' ' 84' ' ' LEU . 87.9 mt -134.13 114.67 19.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.9 tpp -83.59 142.29 30.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.625 HG23 HD23 ' A' ' 27' ' ' LEU . 16.2 mt -111.85 137.21 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -129.22 117.52 20.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.789 ' CH2' HD11 ' A' ' 56' ' ' ILE . 41.3 p90 -134.97 167.27 21.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -125.92 151.45 71.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 143.73 51.95 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.256 . . . . 0.0 112.398 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 171.06 15.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.54 152.24 26.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.576 0.703 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -40.05 5.76 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.43 -48.01 77.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 47' ' ' GLN . 70.4 p -61.98 -55.23 31.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 46' ' ' THR . 61.1 mt-30 -35.3 134.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -109.96 34.96 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 152.27 -139.53 7.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -120.64 134.24 55.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.446 ' HA ' HG22 ' A' ' 98' ' ' THR . 75.2 mt -78.08 137.23 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.9 p -109.03 -29.41 8.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.68 161.21 29.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.469 ' O ' HD23 ' A' ' 71' ' ' LEU . 96.2 m-85 -109.44 138.48 45.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.953 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.451 ' HB2' HD11 ' A' ' 97' ' ' LEU . 16.7 tttm -96.0 99.41 11.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.789 HD11 ' CH2' ' A' ' 39' ' ' TRP . 74.0 mt -93.12 113.66 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -118.72 133.94 55.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.548 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 32.2 p90 -132.66 146.52 51.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.46 ' NH2' ' CD1' ' A' ' 108' ' ' TRP . 24.2 ptt180 -135.93 174.29 10.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -93.23 136.23 33.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.38 -47.96 80.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 m -69.44 -44.47 71.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -118.6 68.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -45.21 -42.14 8.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t -44.54 -35.86 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -77.5 97.41 5.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.5 p -129.08 141.38 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.515 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 88.3 m -118.68 142.89 47.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.493 ' OE2' ' N ' ' A' ' 70' ' ' THR . 3.4 tm-20 -90.04 142.47 27.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.558 HG21 HD11 ' A' ' 81' ' ' ILE . 47.2 m -146.6 107.95 4.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.629 HD21 ' CD1' ' A' ' 97' ' ' LEU . 10.3 mt -96.32 163.27 13.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.1 m -146.15 -175.61 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 m -80.57 151.95 28.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.69 -29.37 74.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.1 t -91.85 -6.0 52.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.736 0.303 . . . . 0.0 111.147 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.458 ' NE2' ' OE1' ' A' ' 79' ' ' GLN . 21.2 tt0 -88.84 116.07 26.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.6 mt -101.75 21.61 14.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.407 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 92.5 p -149.26 161.58 41.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.458 ' OE1' ' NE2' ' A' ' 76' ' ' GLN . 27.3 tp60 -160.96 125.05 3.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.7 tp -98.29 110.82 23.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.558 HD11 HG21 ' A' ' 70' ' ' THR . 15.9 mm -96.01 108.9 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -103.76 158.88 16.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.33 48.49 1.85 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.516 HD13 HD12 ' A' ' 35' ' ' ILE . 6.6 mt -120.74 171.98 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.31 147.86 30.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -70.96 159.66 34.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 45.4 55.59 6.74 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.2 m -152.0 118.7 5.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.791 0.329 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.09 135.04 53.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -130.7 148.98 52.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.466 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 1.2 m-80 -112.11 150.35 30.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.548 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 16.9 m-85 -144.07 150.75 38.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.51 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 10.1 ptm180 -141.74 129.06 21.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 106' ' ' THR . 47.2 t -109.57 127.62 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.49 147.3 52.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.51 141.23 28.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.629 ' CD1' HD21 ' A' ' 71' ' ' LEU . 8.4 mt -122.28 134.61 54.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.446 HG22 ' HA ' ' A' ' 51' ' ' ILE . 50.4 p -131.2 174.56 9.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.9 tp -53.46 -35.23 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -58.8 -22.53 58.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 141.63 -103.49 0.34 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.414 ' HA ' HD23 ' A' ' 97' ' ' LEU . 41.2 p -123.21 170.97 9.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 111.141 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.68 -172.76 13.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.442 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.77 163.83 36.81 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.471 ' HB1' ' HE ' ' A' ' 93' ' ' ARG . . . -123.17 149.93 43.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.475 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 80.5 p -78.36 152.91 32.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -46.27 168.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.51 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 25.4 m95 -82.33 97.73 8.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 109' ' ' LEU . 10.3 tp -87.48 117.5 26.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 p -98.04 130.38 44.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -128.16 139.02 52.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.078 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -101.6 126.56 48.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.423 HG23 HD11 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -73.66 163.73 27.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.473 ' CE2' HG12 ' A' ' 29' ' ' VAL . 49.2 m-85 -75.26 122.97 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -47.19 -22.07 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.81 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -170.6 173.9 5.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 p -172.82 174.56 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.32 126.43 1.07 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -168.99 161.64 10.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 t -164.58 157.12 16.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.64 144.15 4.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -165.04 120.38 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.2 t -137.36 131.01 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.49 175.14 11.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.535 HG12 ' H ' ' A' ' 13' ' ' THR . 54.5 t -145.81 145.0 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -128.11 47.7 2.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.535 ' H ' HG12 ' A' ' 11' ' ' VAL . 53.6 p -110.06 140.48 44.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -120.9 150.96 40.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -171.36 170.87 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -75.29 -50.26 16.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.434 HG22 ' H ' ' A' ' 17' ' ' VAL . 1.2 m -67.53 147.02 98.81 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.632 0.73 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 143.16 49.87 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.3 t -117.62 33.48 5.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -133.15 137.25 46.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.843 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -114.53 168.73 7.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 0.0 111.098 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.843 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.75 145.18 56.45 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.484 ' NE2' ' HA ' ' A' ' 42' ' ' PRO . 1.9 mp0 -109.35 -179.7 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 53.91 36.9 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.2 tp -65.27 134.9 54.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.523 ' O ' HD23 ' A' ' 27' ' ' LEU . 1.5 p -148.0 156.59 42.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 26' ' ' SER . 29.2 mt -130.46 96.31 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 28' ' ' GLU . 5.0 tm-20 -84.8 89.84 7.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -53.67 111.23 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.444 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 11.4 mmm180 -81.13 -48.78 11.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -141.33 176.04 9.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.9 p -74.66 -3.21 29.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -123.79 -15.62 6.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.469 ' OG ' HD11 ' A' ' 80' ' ' LEU . 29.5 t -125.9 158.66 34.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.6 mt -148.31 125.27 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.444 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 5.2 tpt -84.18 135.01 34.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.592 HD12 HD13 ' A' ' 56' ' ' ILE . 3.5 mt -111.56 123.91 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -121.39 115.57 23.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.598 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 36.9 p90 -133.84 154.51 50.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.426 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -110.58 149.94 40.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 110.965 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 146.72 61.43 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.484 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 54.0 Cg_endo -69.81 168.5 21.44 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.324 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.59 153.03 22.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.627 0.727 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -43.7 2.51 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.359 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.29 -43.54 67.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.07 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.7 p -71.33 -41.05 70.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -45.56 103.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -86.79 37.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 141.26 165.61 10.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -66.2 138.76 57.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.471 ' HA ' HG22 ' A' ' 98' ' ' THR . 59.9 mt -81.03 137.67 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 37.2 p -104.72 -26.63 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.21 172.84 39.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -119.87 150.34 40.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.917 0.389 . . . . 0.0 110.953 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -110.46 100.85 9.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.729 HG12 HG22 ' A' ' 94' ' ' VAL . 58.6 mt -91.23 110.64 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -117.53 145.34 44.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.551 ' CE1' ' HB ' ' A' ' 68' ' ' THR . 1.5 p90 -146.75 156.6 43.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -139.57 177.6 7.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.436 ' HG2' ' CE1' ' A' ' 90' ' ' TYR . 64.2 mttt -100.08 129.98 46.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.18 -23.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.1 m -94.15 -28.53 15.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -130.11 89.28 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -71.15 -35.65 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 t -56.9 -35.14 68.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -81.1 108.73 15.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.0 t -125.09 151.0 30.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.551 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 71.8 m -113.66 132.32 55.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -92.76 136.0 33.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.5 m -145.28 116.56 7.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.438 ' CD1' ' CD1' ' A' ' 97' ' ' LEU . 46.2 tp -109.6 127.62 54.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.409 HG11 ' HB2' ' A' ' 79' ' ' GLN . 25.6 m -112.89 -176.66 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m -77.97 163.37 26.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.3 -46.08 74.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 t -82.98 18.71 1.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.724 0.297 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -102.17 116.5 32.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.3 mt -110.99 20.33 17.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.0 p -156.79 138.71 14.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 56' ' ' ILE . 25.5 tp60 -143.47 139.22 29.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.469 HD11 ' OG ' ' A' ' 34' ' ' SER . 47.6 tp -105.17 115.25 29.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.6 mm -99.73 104.9 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -100.95 161.17 13.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.61 46.24 1.83 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.7 mt -120.39 173.31 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.39 153.33 28.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -72.64 160.72 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.46 55.82 5.82 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 87.7 m -151.93 133.22 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 0.0 111.145 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -81.72 143.5 31.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.436 ' CE1' ' HG2' ' A' ' 60' ' ' LYS . 66.2 m-85 -142.94 135.36 27.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -97.61 130.81 44.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -123.27 152.88 40.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.533 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 15.3 ptt85 -152.43 141.53 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.729 HG22 HG12 ' A' ' 56' ' ' ILE . 59.6 t -118.03 139.63 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.49 146.75 46.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.24 147.25 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.596 ' CD2' HG22 ' A' ' 102' ' ' THR . 5.0 mt -129.61 143.45 50.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.471 HG22 ' HA ' ' A' ' 51' ' ' ILE . 70.2 p -139.02 178.8 6.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 19.0 tt -61.4 -24.87 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -72.01 -15.65 62.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.76 -120.57 1.96 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.596 HG22 ' CD2' ' A' ' 97' ' ' LEU . 16.8 p -113.61 173.0 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 111.149 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -128.16 -175.95 14.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.416 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.5 Cg_endo -69.79 164.25 35.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.234 . . . . 0.0 112.364 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.533 ' HB1' ' HD2' ' A' ' 93' ' ' ARG . . . -117.06 148.15 41.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.084 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 94' ' ' VAL . 60.4 p -76.28 152.38 36.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -44.14 168.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -86.07 97.8 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.5 tp -92.93 118.83 31.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 97.0 p -92.01 135.08 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -130.97 129.18 41.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -99.26 117.91 34.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.2 p -63.95 170.78 3.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -85.48 126.04 33.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -48.7 -24.26 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.0 t -155.44 176.52 12.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.41 89.06 3.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.418 ' HA ' HD22 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -127.64 115.75 19.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -94.27 126.51 39.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -101.44 149.14 24.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.5 t -124.23 142.55 51.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -124.95 157.6 35.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.3 m -114.38 144.22 31.33 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.61 0.719 . . . . 0.0 111.145 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -171.63 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -129.77 172.38 11.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.1 m -85.27 150.01 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.7 t -136.99 128.08 27.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -101.33 146.12 17.18 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -174.94 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.258 . . . . 0.0 112.326 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 53.1 p -174.94 167.3 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 49.1 m -137.05 176.4 8.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.518 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -138.52 141.92 39.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 0.0 110.863 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -80.2 -62.5 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.61 128.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -145.08 155.58 43.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.912 0.387 . . . . 0.0 110.818 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -64.35 178.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.1 165.03 15.03 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -54.44 168.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 81.4 t -114.04 148.07 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.87 170.12 11.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -156.53 141.76 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 mtt-85 -126.63 89.25 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.7 p -137.78 143.46 41.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 mt -114.24 107.47 15.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.0 m -168.92 156.07 7.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' VAL . 74.8 m-20 -37.63 -65.02 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' ASP . 2.4 m -35.24 145.97 0.19 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.613 0.72 . . . . 0.0 111.155 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.41 57.05 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 2.264 . . . . 0.0 112.323 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -125.62 24.69 7.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -115.34 126.54 54.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.8 154.45 38.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.426 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.8 Cg_endo -69.76 145.58 57.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.652 2.234 . . . . 0.0 112.364 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -112.12 -176.35 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 53.39 37.88 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.7 tp -70.56 151.6 44.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.502 ' O ' HD23 ' A' ' 27' ' ' LEU . 3.4 m -169.66 162.45 9.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 26' ' ' SER . 15.4 mt -132.98 103.6 6.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -88.39 87.69 7.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.8 92.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -64.93 -51.3 62.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -130.73 -175.82 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.2 p -79.57 -21.14 45.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.13 -2.09 14.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.8 t -126.73 157.15 39.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.459 HD12 ' HZ ' ' A' ' 92' ' ' PHE . 74.8 mt -152.3 120.72 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.1 tpp -89.05 133.17 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.719 ' CD1' HG21 ' A' ' 56' ' ' ILE . 14.5 mt -105.77 134.16 48.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -125.5 114.89 19.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.582 ' CH2' HD11 ' A' ' 56' ' ' ILE . 39.6 p90 -131.66 165.71 23.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 -126.51 151.88 73.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 143.45 50.83 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.407 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 53.8 Cg_endo -69.74 171.02 15.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.46 152.21 56.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 111.043 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -38.6 7.58 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.52 -34.77 74.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.424 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 82.8 p -80.55 -47.03 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' THR . 36.6 mt-30 -38.52 146.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -121.26 37.91 4.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.83 -163.34 26.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.532 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -93.68 131.92 38.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.729 0.3 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.626 HD13 ' OH ' ' A' ' 54' ' ' TYR . 61.6 mt -75.75 123.58 32.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.7 p -94.39 -43.46 8.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.83 -179.56 32.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.626 ' OH ' HD13 ' A' ' 51' ' ' ILE . 49.9 m-85 -131.84 124.5 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.965 0.412 . . . . 0.0 110.882 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -88.25 103.23 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.719 HG21 ' CD1' ' A' ' 37' ' ' ILE . 74.8 mt -103.22 112.7 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -114.11 156.16 24.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.433 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 40.4 p90 -157.3 144.54 18.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.481 ' HB3' HG22 ' A' ' 67' ' ' VAL . 20.9 ptt180 -132.87 167.48 20.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -85.48 126.7 34.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.2 -34.86 2.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.6 p -83.96 -45.18 13.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.0 tpt85 -110.58 92.62 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -71.54 -50.5 30.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.4 t -42.43 -31.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -83.21 104.61 13.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.481 HG22 ' HB3' ' A' ' 59' ' ' ARG . 5.7 t -128.66 145.41 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.8 m -120.72 132.32 55.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -95.68 137.1 35.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 78.9 m -130.57 125.1 33.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -104.54 130.01 52.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.592 ' N ' HD13 ' A' ' 71' ' ' LEU . 33.5 m -124.86 179.31 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.9 t -85.42 157.23 20.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.89 -58.63 12.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -61.91 -14.24 32.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 0.0 111.145 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.489 ' NE2' ' OE1' ' A' ' 79' ' ' GLN . 28.9 tt0 -77.99 113.69 16.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.0 mt -104.88 13.11 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.4 p -141.02 157.69 44.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.489 ' OE1' ' NE2' ' A' ' 76' ' ' GLN . 34.9 tp60 -163.32 129.12 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.8 tp -98.26 118.06 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 50.2 mm -99.7 104.85 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -99.2 168.01 10.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.43 41.78 4.72 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 mt -119.49 161.1 21.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.1 142.11 30.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -66.61 158.76 29.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.78 56.35 11.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.536 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.405 ' HB ' ' CE2' ' A' ' 90' ' ' TYR . 80.5 m -156.29 137.6 13.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.712 0.292 . . . . 0.0 111.132 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -81.09 143.38 32.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.405 ' CE2' ' HB ' ' A' ' 88' ' ' THR . 96.2 m-85 -140.9 136.41 32.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -97.86 142.33 29.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.459 ' HZ ' HD12 ' A' ' 35' ' ' ILE . 77.6 m-85 -134.97 157.65 46.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.488 ' CD ' ' CH2' ' A' ' 108' ' ' TRP . 8.4 ptm180 -155.55 127.71 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.583 HG22 HG12 ' A' ' 56' ' ' ILE . 86.7 t -104.36 134.13 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.78 137.57 41.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.54 ' HA ' ' CD1' ' A' ' 54' ' ' TYR . . . -83.1 149.73 26.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.581 HD23 ' HA ' ' A' ' 102' ' ' THR . 11.8 mt -121.71 146.14 47.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -141.86 169.85 16.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.4 tt -58.9 -22.21 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -76.92 -10.05 59.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.97 -122.62 3.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.581 ' HA ' HD23 ' A' ' 97' ' ' LEU . 30.9 p -109.56 161.02 15.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.83 0.348 . . . . 0.0 111.117 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -115.45 -174.38 17.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 152.75 69.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.459 ' HB1' ' HE ' ' A' ' 93' ' ' ARG . . . -116.09 137.27 52.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.426 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 69.5 p -62.44 157.67 19.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -51.26 169.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.488 ' CH2' ' CD ' ' A' ' 93' ' ' ARG . 31.6 m95 -79.07 92.4 5.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.416 HD23 ' HG ' ' A' ' 27' ' ' LEU . 11.2 tp -86.36 113.41 22.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.7 p -92.76 143.42 26.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -139.32 136.6 35.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -98.56 118.26 34.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.415 HG23 HD11 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -71.58 157.36 38.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -67.25 122.9 18.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -49.07 -25.2 1.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 67.5 m -139.7 165.17 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -58.62 -42.29 87.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 20.5 tp -59.75 111.2 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.23 146.9 28.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -92.19 150.6 20.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 94.4 m -84.11 114.77 22.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -140.54 175.5 9.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.673 HG13 ' HD2' ' A' ' 124' ' ' PRO . 88.3 t -128.86 138.73 33.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.558 0.694 . . . . 0.0 111.184 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.673 ' HD2' HG13 ' A' ' 123' ' ' VAL . 53.6 Cg_endo -69.73 171.52 14.29 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -153.07 109.79 3.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 32.8 m -82.95 175.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.2 t -167.88 164.37 14.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -138.12 71.16 0.46 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 123.35 10.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.307 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.4 t -43.51 127.02 4.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 72.6 m -51.73 -53.62 37.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -145.85 177.87 8.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.87 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -87.2 177.41 7.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.27 -144.64 7.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -141.83 176.99 8.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -55.82 176.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.78 -117.85 2.35 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.56 175.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 9' ' ' VAL . 6.0 t -119.17 3.0 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.9 117.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.597 HG12 ' HG2' ' A' ' 12' ' ' ARG . 58.7 t -149.21 107.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.597 ' HG2' HG12 ' A' ' 11' ' ' VAL . 31.6 ptt180 38.04 39.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 13' ' ' THR . 6.8 m -85.94 32.56 0.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.2 mt -68.89 -66.3 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.5 m -166.43 121.52 1.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.99 -52.6 62.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -38.0 154.25 0.12 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.578 0.704 . . . . 0.0 111.163 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.42 ' HA ' ' ND2' ' A' ' 48' ' ' ASN . 53.8 Cg_endo -69.75 164.28 35.11 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.744 2.296 . . . . 0.0 112.33 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 t -131.22 20.46 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.543 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -109.46 130.22 55.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.626 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.72 161.69 22.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.557 0.694 . . . . 0.0 111.083 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.626 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.78 133.11 24.75 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.514 ' NE2' ' HA ' ' A' ' 42' ' ' PRO . 2.1 mp0 -99.49 175.32 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 59.25 38.52 23.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 tp -69.06 152.31 45.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -171.06 162.71 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.607 HD23 HG23 ' A' ' 37' ' ' ILE . 17.2 mt -133.52 101.19 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 30' ' ' ARG . 24.6 tp10 -84.07 93.28 8.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.41 80.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' GLU . 20.5 mmm180 -52.28 -51.58 57.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.406 ' ND2' ' OG ' ' A' ' 34' ' ' SER . 54.7 m-20 -138.64 178.91 6.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.2 p -72.97 -22.93 60.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.09 8.36 15.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.406 ' OG ' ' ND2' ' A' ' 31' ' ' ASN . 27.9 p -143.75 129.7 19.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.545 HD11 HG23 ' A' ' 113' ' ' THR . 65.8 mt -128.15 114.99 36.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.454 ' SD ' ' CE1' ' A' ' 38' ' ' HIS . 5.2 ttm -80.53 146.87 31.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.721 HD12 HG21 ' A' ' 56' ' ' ILE . 2.1 mt -116.69 127.92 74.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.454 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 95.1 m-70 -120.09 115.24 23.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.846 ' CH2' HD11 ' A' ' 56' ' ' ILE . 33.1 p90 -135.17 158.84 43.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.446 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -117.83 154.3 51.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.634 0.73 . . . . 0.0 110.878 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' HD13 ' A' ' 77' ' ' LEU . 54.1 Cg_endo -69.72 144.36 54.01 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.729 2.286 . . . . 0.0 112.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.514 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.82 165.16 31.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.75 152.76 34.92 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.582 0.706 . . . . 0.0 111.11 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -46.16 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.385 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.14 -16.33 12.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 69.1 p -100.86 -18.22 16.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -73.1 114.81 11.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.42 ' ND2' ' HA ' ' A' ' 18' ' ' PRO . 9.0 m-20 -87.67 28.93 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 151.14 -171.2 30.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -87.09 137.98 31.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.599 HD13 ' OH ' ' A' ' 54' ' ' TYR . 60.5 mt -80.01 131.92 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.9 p -102.68 -25.25 13.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.55 170.41 39.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.53 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.599 ' OH ' HD13 ' A' ' 51' ' ' ILE . 94.2 m-85 -120.18 133.55 55.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.941 0.401 . . . . 0.0 110.877 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.491 ' HE3' HD21 ' A' ' 97' ' ' LEU . 13.3 ttmt -95.86 102.41 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.846 HD11 ' CH2' ' A' ' 39' ' ' TRP . 54.8 mt -97.7 127.26 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.5 mtp85 -126.12 147.41 49.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.58 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 52.8 p90 -147.37 142.33 26.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.535 ' NH2' ' CE2' ' A' ' 108' ' ' TRP . 22.7 ptt180 -140.27 177.56 7.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -93.71 135.12 35.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.45 -43.1 16.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -79.53 -52.21 8.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -99.26 84.6 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -73.88 -39.39 63.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.3 m -43.16 -54.64 4.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -68.13 107.33 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 65' ' ' SER . 2.6 t -124.99 152.03 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.402 HG21 ' OH ' ' A' ' 58' ' ' TYR . 49.8 m -114.05 144.88 42.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -108.34 119.71 40.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 m -131.3 103.04 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.697 HD23 ' N ' ' A' ' 72' ' ' VAL . 1.2 tt -100.41 130.04 46.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.697 ' N ' HD23 ' A' ' 71' ' ' LEU . 5.9 m -110.95 179.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 t -69.48 163.69 24.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.77 -39.39 93.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -85.06 1.8 46.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.755 0.312 . . . . 0.0 111.169 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -86.66 117.71 25.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.402 HD13 ' HD3' ' A' ' 41' ' ' PRO . 71.2 mt -113.55 24.94 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.1 p -158.7 148.58 19.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.816 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.489 ' OE1' ' CG1' ' A' ' 72' ' ' VAL . 51.0 tp60 -150.97 155.08 38.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' A' ' 79' ' ' GLN . 26.7 tp -121.06 113.61 20.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 14.1 mm -95.63 93.44 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -91.49 155.08 18.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.61 48.12 2.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.478 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 27.2 mt -115.8 -177.05 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -117.89 140.03 50.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -66.26 163.77 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.59 56.57 2.0 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 76.6 m -154.56 126.38 7.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.105 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -65.21 141.79 58.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.478 ' CE2' ' HB3' ' A' ' 84' ' ' LEU . 36.7 m-85 -138.45 135.5 35.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -97.73 150.49 21.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 74.2 m-85 -148.85 145.89 27.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -148.25 135.98 20.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.735 ' O ' HG23 ' A' ' 106' ' ' THR . 45.7 t -113.11 133.89 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.33 147.35 52.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.95 147.62 22.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.491 HD21 ' HE3' ' A' ' 55' ' ' LYS . 6.8 mt -125.43 136.69 53.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.4 p -137.34 175.5 9.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.5 tt -59.73 -23.01 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -73.94 -14.62 61.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 132.3 -125.23 4.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.409 HG23 ' CD2' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -105.36 154.21 20.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -109.43 -166.76 20.25 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.457 ' HG3' ' C ' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.8 168.47 21.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.234 . . . . 0.0 112.337 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -127.35 135.8 51.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.735 HG23 ' O ' ' A' ' 94' ' ' VAL . 50.3 p -65.33 147.91 52.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.46 138.65 39.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.535 ' CE2' ' NH2' ' A' ' 59' ' ' ARG . 49.3 m95 -52.17 106.33 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.3 tp -101.28 116.84 33.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.8 m -89.78 142.77 27.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -137.07 138.63 40.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -104.32 118.09 35.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.545 HG23 HD11 ' A' ' 35' ' ' ILE . 1.2 p -69.72 165.65 20.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 116' ' ' SER . 63.8 m-85 -77.01 126.27 30.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -41.91 -24.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 114' ' ' PHE . 2.1 m -168.0 135.93 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -51.78 93.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 25.8 tp -106.19 120.14 41.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -55.51 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -73.95 138.87 44.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 91.5 m -97.54 127.63 43.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -153.92 143.48 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 4.1 m -113.03 85.71 8.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.626 0.726 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -177.32 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.73 2.287 . . . . 0.0 112.303 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -70.44 161.62 30.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 11.8 p -112.03 146.08 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.3 m -137.41 175.03 9.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -135.06 83.4 0.28 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -176.14 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.1 t -140.99 166.45 24.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 t -136.97 177.52 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 3' ' ' SER . 28.3 p -116.55 177.94 4.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.373 . . . . 0.0 110.867 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 2' ' ' SER . 60.1 p -35.67 151.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.833 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.06 174.9 25.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.528 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -113.79 165.3 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.354 . . . . 0.0 110.873 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 p -59.68 150.27 28.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.25 -137.25 8.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -55.22 169.07 0.28 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.828 0.347 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.0 t -152.88 137.62 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 64.64 43.77 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.077 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -63.99 138.5 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -129.86 116.07 18.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.4 p -125.59 160.14 30.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mp -84.44 151.02 24.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -142.74 161.16 38.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -77.08 -53.17 8.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -37.94 153.22 0.14 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.642 0.734 . . . . 0.0 111.141 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 155.46 66.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -120.87 12.76 11.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.47 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -105.28 127.88 53.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.666 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.2 162.81 18.49 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.666 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.8 Cg_endo -69.76 142.85 49.05 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 42' ' ' PRO . 1.8 mp0 -108.89 178.49 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 58.6 34.37 23.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.432 HD22 ' CB ' ' A' ' 106' ' ' THR . 59.0 tp -65.2 152.72 42.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.56 ' O ' HD23 ' A' ' 27' ' ' LEU . 3.1 m -171.38 162.92 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.704 HD23 HG23 ' A' ' 37' ' ' ILE . 26.7 mt -133.72 98.96 4.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' MET . 8.6 tp10 -83.53 90.35 7.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.7 t -57.21 84.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 28' ' ' GLU . 48.3 mmm-85 -53.53 -50.08 66.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -141.1 -175.65 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.8 m -78.66 -7.85 58.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.93 4.51 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.2 p -141.63 125.08 16.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.9 mt -122.61 121.09 62.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.5 ttm -88.96 139.75 30.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.704 HG23 HD23 ' A' ' 27' ' ' LEU . 4.1 mt -111.47 131.98 61.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -123.62 118.64 27.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.708 ' CH2' HD11 ' A' ' 56' ' ' ILE . 39.1 p90 -136.85 168.94 18.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -128.31 153.21 78.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.59 0.71 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.457 ' HD3' ' CD1' ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.76 144.28 53.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.434 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 53.3 Cg_endo -69.77 163.48 38.13 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.35 152.5 23.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -40.57 5.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.08 -47.55 74.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.47 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 25.4 p -68.58 -51.81 38.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' THR . 39.7 mt-30 -36.74 133.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -103.09 33.53 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 146.52 -153.78 25.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -99.12 150.69 21.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.322 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.2 mt -96.87 133.89 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.9 p -104.55 -35.12 7.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.06 176.8 45.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -123.7 157.3 34.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.911 0.386 . . . . 0.0 110.953 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -116.24 104.89 11.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.708 HD11 ' CH2' ' A' ' 39' ' ' TRP . 82.9 mt -97.88 104.19 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -111.63 136.37 50.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.488 ' CZ ' ' HB ' ' A' ' 68' ' ' THR . 21.9 p90 -135.08 144.74 47.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -134.02 178.88 6.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -101.36 135.9 42.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.32 -58.33 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.1 t -57.69 -56.27 24.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -99.0 89.95 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.87 42.94 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 m -130.74 -33.38 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -88.65 99.62 12.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.71 135.01 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.488 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 84.7 m -106.43 141.06 38.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.19 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -98.99 136.3 39.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.2 m -131.06 119.3 21.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.715 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.4 OUTLIER -98.82 139.05 35.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.715 ' N ' HD13 ' A' ' 71' ' ' LEU . 31.0 m -129.87 172.81 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.9 t -75.51 153.96 37.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.52 -44.99 97.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.6 t -79.48 4.79 14.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.73 0.3 . . . . 0.0 111.135 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -97.51 109.65 22.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.457 ' CD1' ' HD3' ' A' ' 41' ' ' PRO . 77.1 mt -103.34 18.83 20.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.9 p -148.39 143.0 26.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.544 ' NE2' HG12 ' A' ' 72' ' ' VAL . 3.9 tp-100 -146.83 156.2 42.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' A' ' 79' ' ' GLN . 27.4 tp -123.86 110.22 14.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.6 mm -95.39 107.57 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -103.3 162.64 12.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.34 43.66 3.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mt -122.77 160.45 25.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -93.22 151.03 20.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.1 165.82 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.1 50.41 4.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.7 m -146.44 132.17 18.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -75.75 145.24 40.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -142.7 143.27 32.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -100.13 144.89 28.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.461 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 75.7 m-85 -141.29 142.99 33.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.459 ' HD2' ' CZ2' ' A' ' 108' ' ' TRP . 11.3 ptm180 -145.41 124.68 12.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.457 HG22 HG12 ' A' ' 56' ' ' ILE . 94.8 t -103.38 134.72 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.75 151.78 51.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.04 142.88 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.8 mt -118.55 129.81 55.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.0 p -129.3 178.12 6.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.7 tt -61.58 -22.23 27.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -75.18 -13.6 60.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 130.5 -120.54 3.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.74 147.05 29.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.351 . . . . 0.0 111.078 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -105.89 -172.91 23.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.484 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.48 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 54.4 Cg_endo -69.76 158.26 57.57 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.243 . . . . 0.0 112.366 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.72 142.15 48.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.442 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 63.9 p -65.24 147.14 53.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.83 134.23 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.459 ' CZ2' ' HD2' ' A' ' 93' ' ' ARG . 45.3 m95 -45.8 109.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.9 tp -102.85 113.5 26.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.2 m -84.52 147.46 27.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.405 ' HB2' HD12 ' A' ' 27' ' ' LEU . . . -146.1 131.58 18.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -101.49 113.86 27.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.24 169.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.44 ' O ' ' N ' ' A' ' 116' ' ' SER . 7.7 m-85 -76.7 118.4 19.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -41.96 -24.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 114' ' ' PHE . 4.8 m -149.68 179.39 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -84.43 101.45 12.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.1 tp -127.37 105.43 8.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.22 150.81 47.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -99.12 118.61 36.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 36.4 p -75.14 176.05 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.5 mtp85 -138.96 -175.71 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 8.4 p -138.91 127.81 14.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 111.141 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 178.88 4.12 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 126' ' ' VAL . 5.4 tp10 -115.41 100.92 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 125' ' ' GLU . 89.1 t -33.86 138.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.086 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 58.8 m -52.23 164.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -94.69 -158.07 33.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -165.87 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.613 2.209 . . . . 0.0 112.372 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.7 t -126.09 176.78 6.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.5 m -74.36 168.47 19.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.539 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.5 p -157.05 157.36 34.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.901 0.381 . . . . 0.0 110.808 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 p -170.95 173.36 5.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.829 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.5 -101.56 0.2 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.427 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t 49.59 42.7 23.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.817 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -96.69 172.54 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.89 171.0 28.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.73 167.44 23.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.876 0.37 . . . . 0.0 110.812 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.8 t -131.82 118.02 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.25 125.84 27.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -75.74 170.88 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -112.31 116.73 30.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.8 t -56.59 146.21 25.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.5 mt -103.09 88.12 3.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 p -99.76 161.09 13.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -56.31 -61.54 2.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -41.51 153.34 0.26 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.639 0.733 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 148.39 65.24 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 t -125.47 48.12 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.494 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -136.31 131.93 35.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -111.95 155.49 43.21 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.559 0.695 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HG3' HG12 ' A' ' 94' ' ' VAL . 53.6 Cg_endo -69.78 135.77 31.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -101.84 176.09 5.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 59.76 35.66 22.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.6 tp -63.62 140.43 58.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.0 m -156.66 161.78 39.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.746 HD23 HG23 ' A' ' 37' ' ' ILE . 6.1 mt -135.35 105.65 6.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' ARG . 25.4 tp10 -91.11 79.95 5.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.0 t -45.61 92.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' GLU . 47.8 mmm-85 -61.62 -54.78 38.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -137.17 -177.42 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.534 ' O ' HG21 ' A' ' 113' ' ' THR . 53.8 p -72.0 -26.31 62.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -113.8 8.05 17.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.2 p -138.43 131.15 29.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.4 mt -130.65 111.99 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.402 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 2.5 ttm -83.66 130.17 34.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.834 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.746 HG23 HD23 ' A' ' 27' ' ' LEU . 5.0 mt -104.49 130.64 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.092 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.402 ' CD2' ' HG2' ' A' ' 36' ' ' MET . 74.9 m-70 -125.56 116.63 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.774 ' CH2' HD11 ' A' ' 56' ' ' ILE . 39.0 p90 -133.06 168.81 17.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -118.51 147.61 42.32 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.605 0.717 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.475 ' HD3' HD13 ' A' ' 77' ' ' LEU . 54.2 Cg_endo -69.75 144.96 55.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 171.15 15.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.721 2.281 . . . . 0.0 112.311 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.72 148.47 26.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.611 0.719 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -8.77 24.44 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.22 -25.76 15.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.494 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 22.0 p -92.37 -32.76 14.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 46' ' ' THR . 46.6 mt-30 -33.15 -35.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 46' ' ' THR . 20.0 t-20 63.48 25.71 14.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.32 172.24 13.06 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -64.49 145.06 56.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.311 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.46 HD13 ' OH ' ' A' ' 54' ' ' TYR . 83.5 mt -91.39 128.45 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.9 p -91.95 -34.68 14.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.429 ' HA2' ' C ' ' A' ' 73' ' ' SER . . . -176.55 159.01 25.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.534 ' O ' HD23 ' A' ' 71' ' ' LEU . 44.0 m-85 -106.87 124.69 49.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.947 0.403 . . . . 0.0 110.928 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.577 ' HB2' HD11 ' A' ' 97' ' ' LEU . 36.0 tttt -90.14 113.86 25.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.774 HD11 ' CH2' ' A' ' 39' ' ' TRP . 69.0 mt -101.09 107.47 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -107.97 141.7 39.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.45 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 16.8 p90 -149.19 152.25 35.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.54 ' NH2' ' CD1' ' A' ' 108' ' ' TRP . 17.0 ptt180 -140.62 179.08 6.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -92.21 137.14 32.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.43 -23.4 9.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.7 t -90.83 -41.31 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -119.75 109.7 15.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.838 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' SER . 0.9 OUTLIER -88.69 -50.19 6.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LYS . 89.4 p -37.14 -42.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -80.57 110.19 15.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.9 t -124.44 151.79 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.6 m -122.91 128.75 50.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.416 ' CD ' ' C ' ' A' ' 69' ' ' GLU . 4.4 tm-20 -86.52 140.91 29.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.481 HG21 ' CD1' ' A' ' 81' ' ' ILE . 90.7 m -147.78 105.17 3.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.876 HD21 ' CD1' ' A' ' 97' ' ' LEU . 13.3 mt -92.82 162.91 13.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.603 HG11 ' HB2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -130.32 -77.42 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.57 ' H ' HG23 ' A' ' 72' ' ' VAL . 0.9 OUTLIER -172.55 169.06 5.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.76 -47.37 83.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -102.83 35.04 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 0.0 111.168 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.428 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 18.5 tt0 -111.47 114.23 27.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.475 HD13 ' HD3' ' A' ' 41' ' ' PRO . 21.1 mt -108.76 27.12 9.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.2 p -153.07 155.15 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.603 ' HB2' HG11 ' A' ' 72' ' ' VAL . 33.8 tp60 -164.16 154.2 14.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.9 tp -122.23 112.55 18.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.481 ' CD1' HG21 ' A' ' 70' ' ' THR . 28.6 mm -96.98 98.48 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -95.13 168.81 10.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.0 40.96 7.32 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.448 HD11 ' O ' ' A' ' 81' ' ' ILE . 2.0 mt -114.07 171.53 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.43 155.65 18.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -80.97 160.1 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 43.64 52.53 6.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.9 m -146.31 120.71 9.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.099 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -65.11 143.4 57.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -142.98 135.02 27.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.425 ' HB3' ' CE3' ' A' ' 108' ' ' TRP . 1.5 m-80 -97.9 129.49 44.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.45 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 97.6 m-85 -124.16 152.83 42.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.559 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 7.3 ptp180 -153.54 134.59 13.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.808 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' A' ' 22' ' ' PRO . 61.0 t -103.69 141.3 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.54 147.74 39.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.38 150.26 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.876 ' CD1' HD21 ' A' ' 71' ' ' LEU . 10.3 mt -130.04 142.85 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.2 p -140.64 176.19 8.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.7 tp -54.99 -35.93 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -60.33 -20.53 59.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.31 -118.45 1.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.452 HG22 ' CD2' ' A' ' 97' ' ' LEU . 21.9 p -110.28 164.53 12.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 111.17 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -119.36 -174.88 15.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.491 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.7 Cg_endo -69.8 169.34 19.2 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.697 2.264 . . . . 0.0 112.306 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.99 147.71 50.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.057 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 69.4 p -76.71 161.27 28.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -51.12 169.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.559 ' CZ3' ' HG2' ' A' ' 93' ' ' ARG . 24.9 m95 -87.15 95.43 9.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.5 tp -86.79 117.55 25.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.5 p -88.19 133.63 33.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -133.06 130.91 39.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -104.84 116.64 32.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.534 HG21 ' O ' ' A' ' 32' ' ' SER . 0.8 OUTLIER -59.67 167.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -79.67 121.37 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -42.58 -30.45 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.2 t -139.83 148.74 42.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.33 85.1 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -110.49 110.5 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -64.9 102.18 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -85.31 138.64 32.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 61.9 m -104.4 139.15 39.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.09 173.45 11.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 25.8 m -115.44 137.71 23.27 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -177.43 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -141.75 125.93 17.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 126' ' ' VAL . 8.9 p -95.61 129.37 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 60.3 p -107.76 176.98 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -134.7 163.44 24.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 162.42 42.11 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.688 2.258 . . . . 0.0 112.381 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 131' ' ' SER . 61.3 p -108.5 -55.54 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 130' ' ' SER . 8.7 t -35.91 148.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.9 p -131.76 174.31 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.372 . . . . 0.0 110.882 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 m -111.7 165.98 11.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.05 111.89 0.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -94.76 -48.65 5.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.824 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -171.23 177.63 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.48 41.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -111.55 80.96 1.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.1 t -111.3 122.67 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -166.65 114.34 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 11' ' ' VAL . 7.3 p -164.97 120.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -144.47 125.67 14.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.437 ' C ' HD12 ' A' ' 14' ' ' LEU . 17.2 p -151.17 149.69 29.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 13' ' ' THR . 3.8 mp -147.75 133.43 18.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.9 p -174.63 172.8 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -82.53 46.39 1.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.7 m -92.9 153.72 41.97 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.634 0.73 . . . . 0.0 111.101 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HA ' ' ND2' ' A' ' 48' ' ' ASN . 54.1 Cg_endo -69.72 84.13 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.7 p -72.09 69.39 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.656 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -169.69 115.43 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.84 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -92.97 168.86 11.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.568 0.699 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.84 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.68 151.57 69.54 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.731 2.287 . . . . 0.0 112.343 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -116.5 177.29 4.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 57.56 28.31 15.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.2 tp -58.11 147.24 30.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.51 ' O ' HD23 ' A' ' 27' ' ' LEU . 34.0 m -162.34 162.3 27.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 26' ' ' SER . 10.9 mt -134.8 99.4 4.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -85.1 87.31 7.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.6 t -52.41 108.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.481 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 3.3 mmp_? -78.47 -54.34 6.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -138.38 173.11 11.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.5 p -67.97 -14.98 63.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -120.43 8.21 10.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -147.92 139.26 23.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.557 HD11 HG23 ' A' ' 113' ' ' THR . 96.4 mt -134.3 122.33 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.481 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 6.1 tpt -84.15 131.91 34.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.631 HD12 HD13 ' A' ' 56' ' ' ILE . 2.9 mt -103.94 140.01 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.435 ' NE2' ' HG2' ' A' ' 36' ' ' MET . 90.1 m-70 -134.97 115.2 13.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.684 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 28.8 p90 -135.42 155.94 49.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -116.08 152.7 48.01 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.586 0.707 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 145.45 57.56 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 168.24 22.18 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.701 2.267 . . . . 0.0 112.38 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.84 152.55 48.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.579 0.704 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -38.76 7.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.68 -39.74 71.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.656 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 6.7 p -76.46 -50.34 14.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -48.96 107.38 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -107.08 33.6 3.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.62 172.83 45.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.448 ' OE1' ' C ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -89.91 117.8 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.331 . . . . 0.0 110.914 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.499 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 89.1 mt -68.16 114.52 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.5 p -94.63 -23.07 17.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.32 166.83 32.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.78 ' O ' HD12 ' A' ' 71' ' ' LEU . 45.0 m-85 -117.5 159.78 22.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.947 0.404 . . . . 0.0 110.928 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.82 ' HD2' HD21 ' A' ' 97' ' ' LEU . 24.9 mttp -120.8 118.3 29.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.684 HD11 ' CZ3' ' A' ' 39' ' ' TRP . 29.4 mt -104.35 106.01 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -104.3 130.86 52.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.453 ' CE1' ' HB ' ' A' ' 68' ' ' THR . 7.7 p90 -136.39 153.79 51.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.622 ' NH2' ' CD1' ' A' ' 108' ' ' TRP . 23.5 ptt180 -143.96 175.86 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' ALA . 34.4 mttp -101.49 125.15 48.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' LYS . . . -37.66 -42.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.2 t -73.02 -55.77 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -106.76 82.32 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -73.1 -46.1 53.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.964 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -38.58 -41.25 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -83.29 111.38 18.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.1 t -124.15 153.75 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.453 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 10.0 m -119.11 146.35 45.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.168 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -106.58 140.15 39.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.8 m -143.06 107.74 4.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 54' ' ' TYR . 30.3 tp -92.42 146.94 23.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.9 m -129.9 -179.17 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 t -75.31 152.38 38.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.46 -27.57 66.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 t -97.2 14.28 26.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 111.149 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -96.6 125.48 41.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.2 mt -113.25 7.91 17.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.5 m -155.95 152.63 28.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -148.93 150.81 33.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.1 tp -111.24 122.08 46.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.6 mm -103.73 97.2 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -88.04 160.33 17.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.84 47.49 3.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.1 mt -116.31 171.51 7.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.746 0.308 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -105.47 160.08 15.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -85.8 158.68 19.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.8 56.83 3.6 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.427 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.4 m -149.72 134.72 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.722 0.296 . . . . 0.0 111.15 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -73.66 136.6 43.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.48 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . 47.0 m-85 -134.89 132.21 38.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -96.9 141.67 29.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 90' ' ' TYR . 71.0 m-85 -139.72 152.04 46.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.486 ' HD3' ' CZ2' ' A' ' 108' ' ' TRP . 12.3 ptt180 -155.81 130.73 9.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.615 HG22 HG12 ' A' ' 56' ' ' ILE . 47.0 t -105.47 137.17 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.38 140.05 48.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.23 148.0 24.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.82 HD21 ' HD2' ' A' ' 55' ' ' LYS . 5.7 mt -128.22 142.4 51.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.405 HG22 ' HA ' ' A' ' 51' ' ' ILE . 71.5 p -142.13 170.5 15.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.7 tt -54.95 -29.77 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.159 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -65.41 -20.41 66.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 143.53 -110.83 0.61 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.471 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.552 HG22 ' CD2' ' A' ' 97' ' ' LEU . 3.1 p -121.65 178.22 4.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -134.02 -177.92 15.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.485 ' HG2' ' CA ' ' A' ' 21' ' ' ALA . 53.8 Cg_endo -69.75 159.72 52.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.41 139.95 49.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.069 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.474 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 73.2 p -68.86 134.36 49.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.3 OUTLIER -36.34 142.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.622 ' CD1' ' NH2' ' A' ' 59' ' ' ARG . 67.2 m95 -56.65 98.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 109' ' ' LEU . 9.5 tp -89.09 116.22 27.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.8 p -90.73 147.88 22.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.37 129.15 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -97.99 113.94 25.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.557 HG23 HD11 ' A' ' 35' ' ' ILE . 1.8 p -58.32 178.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -87.69 125.18 34.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -45.65 -31.54 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.1 t -147.57 161.58 40.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.57 -46.17 87.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.8 mt -48.01 98.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -100.81 42.46 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -59.67 149.1 31.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.7 t -104.92 164.2 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -105.7 164.75 11.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.3 m -74.64 138.58 73.93 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.646 0.736 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 170.11 17.34 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -145.4 105.6 4.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.6 p -128.37 143.84 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.6 m -133.32 99.36 4.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -129.95 91.05 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 177.31 5.72 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.0 t -152.23 172.86 15.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.8 m -123.66 -58.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.54 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -49.38 175.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -138.66 158.53 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.838 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.17 -161.19 6.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.472 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -153.72 159.86 42.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.848 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -150.93 163.45 38.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.78 -155.73 7.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -130.95 122.23 26.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 1.7 p -39.66 154.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.423 ' N ' ' CG2' ' A' ' 9' ' ' VAL . . . -134.28 86.64 2.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.448 HG22 ' H ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -75.52 126.91 36.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -120.83 139.08 53.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.9 m -102.48 136.26 42.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 mt -67.77 99.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.449 ' HB2' HG22 ' A' ' 17' ' ' VAL . 84.9 p -152.2 129.08 10.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.52 -25.37 66.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.449 HG22 ' HB2' ' A' ' 15' ' ' SER . 2.2 m -63.49 147.49 95.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.657 0.741 . . . . 0.0 111.087 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 81.19 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.25 . . . . 0.0 112.336 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 t -71.45 69.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.443 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -174.54 121.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.072 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.676 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -89.51 163.55 32.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.523 0.678 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.676 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.8 142.48 47.89 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.642 2.228 . . . . 0.0 112.364 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.475 ' NE2' ' HA ' ' A' ' 42' ' ' PRO . 2.5 mp0 -103.71 177.54 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 54.63 45.73 26.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.4 tp -74.03 148.99 41.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.615 ' O ' HD23 ' A' ' 27' ' ' LEU . 15.7 m -162.78 159.97 24.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.796 ' HG ' HD23 ' A' ' 109' ' ' LEU . 19.4 mt -131.14 96.63 4.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -82.1 91.91 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.5 t -62.61 95.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 mmm-85 -70.32 -47.35 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.9 169.44 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 m -69.62 -10.66 59.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -114.88 -12.02 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.548 ' OG ' HD11 ' A' ' 80' ' ' LEU . 25.0 t -125.32 156.25 38.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.458 HD11 HG23 ' A' ' 113' ' ' THR . 47.0 mt -151.51 108.47 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.9 tpp -77.91 141.43 39.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.69 HD12 HG21 ' A' ' 56' ' ' ILE . 3.1 mt -117.43 120.59 65.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -112.55 116.39 30.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.808 ' CH2' HD11 ' A' ' 56' ' ' ILE . 34.1 p90 -133.4 154.86 50.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -110.52 152.6 43.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.712 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 144.64 54.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.475 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 54.5 Cg_endo -69.69 170.97 15.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.403 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.08 152.18 22.75 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.553 0.692 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -29.83 22.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.299 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.78 -14.44 61.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.1 p -118.39 45.05 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -121.02 -27.89 4.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 38.65 32.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.37 -171.1 28.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -101.12 144.63 29.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.634 ' HA ' HG22 ' A' ' 98' ' ' THR . 80.2 mt -81.17 131.02 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.3 p -95.84 -34.22 11.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.0 162.57 33.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.495 ' O ' HG22 ' A' ' 72' ' ' VAL . 56.5 m-85 -108.78 138.38 45.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.934 0.397 . . . . 0.0 110.886 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.631 ' HB2' HD11 ' A' ' 97' ' ' LEU . 23.6 tttt -100.76 99.23 9.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.808 HD11 ' CH2' ' A' ' 39' ' ' TRP . 37.1 mt -93.2 111.93 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -112.36 136.32 51.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -135.45 143.83 46.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.412 ' NH1' ' OD1' ' A' ' 91' ' ' ASN . 18.3 ptt85 -132.24 174.76 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -103.14 124.9 49.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.43 -46.71 13.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.1 t -65.49 -54.56 26.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -108.16 63.91 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -39.78 -49.28 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.1 m -45.28 -41.11 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.96 94.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.807 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.6 p -129.08 142.16 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.3 m -116.62 141.24 48.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.488 ' CD ' ' CE ' ' A' ' 55' ' ' LYS . 11.7 tt0 -99.88 133.25 44.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.3 m -128.62 127.34 42.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.5 tp -107.4 146.74 31.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 54' ' ' TYR . 17.1 m -138.05 179.63 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.176 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 m -73.59 166.73 22.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -77.19 -40.55 24.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.2 t -80.79 -1.84 44.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.722 0.296 . . . . 0.0 111.173 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.452 ' NE2' ' OE1' ' A' ' 79' ' ' GLN . 30.6 tt0 -90.84 113.43 25.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.8 mt -102.79 12.72 35.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.443 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 96.6 p -142.26 153.54 44.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.452 ' OE1' ' NE2' ' A' ' 76' ' ' GLN . 40.0 tp60 -157.32 140.31 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.548 HD11 ' OG ' ' A' ' 34' ' ' SER . 20.9 tp -107.99 117.82 35.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.2 mm -101.66 102.38 13.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -95.01 166.66 11.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.81 51.14 3.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.1 mt -117.42 171.26 8.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -108.11 129.87 55.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -57.69 157.29 7.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.25 51.55 7.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.2 m -145.3 124.48 12.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.758 0.313 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -69.34 128.55 36.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -127.64 134.8 49.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.983 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.488 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -99.22 147.82 24.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 91' ' ' ASN . 5.3 m-85 -142.69 154.87 44.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.585 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 8.4 ptm180 -150.5 125.21 9.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.66 HG22 HG12 ' A' ' 56' ' ' ILE . 97.1 t -103.19 133.71 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.63 142.2 45.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -87.53 139.77 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.696 ' CD2' HG22 ' A' ' 102' ' ' THR . 6.2 mt -121.43 140.2 52.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.634 HG22 ' HA ' ' A' ' 51' ' ' ILE . 43.6 p -138.95 173.67 11.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.405 ' H ' HG22 ' A' ' 99' ' ' ILE . 2.3 tt -56.55 -32.36 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.09 -17.54 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.76 -133.03 5.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.696 HG22 ' CD2' ' A' ' 97' ' ' LEU . 36.3 p -109.2 168.94 9.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.346 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -123.07 179.0 16.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.481 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.75 151.0 69.02 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.313 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.39 130.11 55.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.472 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 75.3 p -50.13 165.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.21 169.82 0.78 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.585 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 29.3 m95 -80.07 91.46 5.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.796 HD23 ' HG ' ' A' ' 27' ' ' LEU . 8.9 tp -85.97 111.77 20.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.1 m -90.45 138.62 31.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.483 ' HB2' HD12 ' A' ' 27' ' ' LEU . . . -134.76 130.92 36.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -98.14 113.04 24.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.458 HG23 HD11 ' A' ' 35' ' ' ILE . 0.8 OUTLIER -61.24 166.18 3.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.438 ' CD2' ' OD2' ' A' ' 119' ' ' ASP . 66.5 m-85 -75.9 126.35 30.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -46.55 -23.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.1 t -145.73 146.01 31.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.09 -44.19 71.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 118' ' ' LEU . 0.6 OUTLIER -61.26 91.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.438 ' OD2' ' CD2' ' A' ' 114' ' ' PHE . 20.0 m-20 -107.56 123.17 48.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -100.72 91.77 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 53.1 m -129.02 102.39 6.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -57.99 130.0 44.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.0 t -97.26 126.29 42.47 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.655 0.741 . . . . 0.0 111.073 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 163.21 39.16 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -102.22 108.65 20.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.8 p -142.44 121.14 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.114 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.4 t -97.81 163.82 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -138.32 135.1 7.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -171.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.645 2.23 . . . . 0.0 112.333 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 83.4 p -128.8 163.71 24.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.0 m -107.54 142.57 37.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.813 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.54 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -105.13 142.57 34.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -120.37 145.21 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.45 50.17 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.469 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.7 p -90.3 113.54 25.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.89 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 p -113.32 134.05 54.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.9 -139.92 6.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -169.73 140.03 2.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.893 0.378 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.548 HG12 HG23 ' A' ' 11' ' ' VAL . 61.9 t -143.92 140.65 25.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.34 71.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.816 HG12 HG23 ' A' ' 13' ' ' THR . 79.2 t -142.6 116.05 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -90.9 87.17 6.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.816 HG23 HG12 ' A' ' 11' ' ' VAL . 24.6 p -102.42 142.68 33.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.571 ' H ' HD23 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -93.93 -24.92 17.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.405 ' OG ' HG22 ' A' ' 17' ' ' VAL . 19.7 t -145.89 155.11 42.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.808 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -80.52 -54.4 5.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.415 ' HA ' ' CB ' ' A' ' 100' ' ' ASN . 13.1 m -46.41 153.3 0.75 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 146.62 61.07 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.268 . . . . 0.0 112.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.3 m -124.19 47.27 2.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.554 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -151.01 113.97 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.7 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -81.88 163.95 51.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.705 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.7 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.82 133.65 25.96 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -97.24 -175.33 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 52.86 38.84 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.7 tp -73.14 153.55 40.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -170.47 161.85 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.57 HD23 HG23 ' A' ' 37' ' ' ILE . 20.3 mt -131.29 98.16 4.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -85.29 84.51 7.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.9 t -52.55 94.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -65.11 -48.74 72.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -138.97 -175.65 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.522 ' O ' HG21 ' A' ' 113' ' ' THR . 52.8 p -76.81 -34.13 57.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.8 14.73 31.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.1 t -146.97 153.39 40.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.9 mt -149.8 110.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.468 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 3.3 ttm -78.33 143.79 36.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.57 HG23 HD23 ' A' ' 27' ' ' LEU . 5.2 mt -118.5 133.48 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.468 ' CD2' ' HG2' ' A' ' 36' ' ' MET . 90.7 m-70 -126.16 118.0 24.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.6 ' CH2' HD11 ' A' ' 56' ' ' ILE . 41.3 p90 -131.98 176.65 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -134.88 152.11 76.82 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 140.69 43.28 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 170.96 15.3 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.277 . . . . 0.0 112.382 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.1 152.22 15.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.582 0.706 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -29.53 23.68 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.31 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.17 -30.69 65.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.554 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 71.1 p -100.13 39.28 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -110.48 -51.62 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 63.06 35.56 12.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 145.72 -173.95 25.88 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -101.14 137.74 39.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.1 mt -74.84 142.52 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.5 p -112.34 -42.7 3.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.11 166.68 38.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -111.9 148.59 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 0.0 110.967 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -114.32 91.73 3.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.682 HG12 HG22 ' A' ' 94' ' ' VAL . 58.7 mt -85.96 121.34 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -121.08 136.81 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.577 ' CE1' ' HB ' ' A' ' 68' ' ' THR . 11.7 p90 -137.3 147.83 45.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.482 ' HB3' HG22 ' A' ' 67' ' ' VAL . 35.6 ptt180 -141.25 163.19 33.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -79.6 141.73 36.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.2 13.52 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.2 m -120.56 -31.58 4.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.0 ttt85 -105.26 -32.87 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 40.45 36.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -134.34 -38.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -88.75 113.31 24.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.482 HG22 ' HB3' ' A' ' 59' ' ' ARG . 10.4 t -121.33 143.12 34.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.577 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 34.6 m -115.07 140.92 48.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -98.57 131.49 44.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.0 m -126.39 110.28 13.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.465 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -95.53 129.56 42.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.465 ' N ' HD13 ' A' ' 71' ' ' LEU . 30.5 m -125.5 176.65 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.6 t -75.58 156.28 35.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.51 -58.39 14.59 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 t -58.84 -32.1 69.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.723 0.297 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -60.78 114.87 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.413 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 77.9 mt -106.01 25.48 10.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 48.0 m -158.65 164.16 36.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.437 ' HB2' HG11 ' A' ' 72' ' ' VAL . 39.8 tp60 -162.19 141.65 9.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 tp -102.76 110.25 22.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.5 mm -90.18 98.5 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -96.03 165.66 12.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.82 44.39 4.52 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.1 mt -119.3 172.5 7.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -109.66 155.98 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.0 ptt85 -79.09 158.17 27.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.06 53.51 18.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.6 m -150.19 129.12 12.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.762 0.315 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.417 ' CG ' ' OG ' ' A' ' 110' ' ' SER . 31.7 tt0 -75.5 138.85 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -137.36 149.73 47.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -111.03 145.03 39.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.544 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 76.8 m-85 -139.48 153.47 47.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.493 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 4.6 ptm85 -156.86 130.08 7.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.682 HG22 HG12 ' A' ' 56' ' ' ILE . 94.6 t -102.82 148.24 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.7 140.5 27.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.048 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.2 146.93 23.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.61 ' CD2' HG23 ' A' ' 102' ' ' THR . 14.3 mt -123.78 137.93 54.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 47.8 p -137.14 170.28 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.0 tt -56.98 -19.32 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.415 ' CB ' ' HA ' ' A' ' 17' ' ' VAL . 32.3 m-80 -72.66 -15.11 61.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 134.64 -104.28 0.51 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.61 HG23 ' CD2' ' A' ' 97' ' ' LEU . 1.7 m -128.92 151.0 50.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 111.164 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -107.92 -177.82 22.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.465 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.3 Cg_endo -69.78 166.0 29.09 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.329 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.432 ' HB3' HH21 ' A' ' 93' ' ' ARG . . . -127.69 125.59 40.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.061 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 77.0 p -46.24 160.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -57.32 177.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.493 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 25.9 m95 -87.18 99.02 11.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.1 tp -97.37 114.03 25.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.417 ' OG ' ' CG ' ' A' ' 89' ' ' GLU . 5.6 t -88.95 154.49 20.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.07 130.0 14.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -98.31 117.08 31.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.522 HG21 ' O ' ' A' ' 32' ' ' SER . 1.9 p -62.35 168.96 3.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 115' ' ' GLU . 70.5 m-85 -81.8 120.96 25.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 114' ' ' PHE . 54.7 mt-10 -37.16 -37.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.8 m -136.16 174.73 10.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -92.8 92.44 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 tt -126.08 113.61 17.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -51.83 104.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.827 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -117.98 41.5 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 75.8 p -75.02 151.74 38.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.16 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.4 ptt85 -107.99 166.04 11.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 123' ' ' VAL . 7.4 p -91.28 122.14 66.65 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 139.36 39.82 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -110.21 133.02 53.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 28.2 m -97.77 133.38 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.6 m -162.12 128.59 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 123.48 151.81 8.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -174.57 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.735 2.29 . . . . 0.0 112.321 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.4 t -144.63 158.89 43.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 86.0 p -162.38 172.54 15.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 t -107.86 138.91 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -173.81 154.19 2.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.04 169.75 36.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.2 m -112.5 111.98 23.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 110.822 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -94.79 173.99 7.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.31 76.33 1.0 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -157.56 120.91 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.5 t -93.54 83.64 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.0 124.17 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 11' ' ' VAL . 14.2 p -97.66 125.96 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.3 mtp85 -97.07 -46.63 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.0 p -116.25 104.96 12.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.4 -42.56 65.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.5 p -144.0 163.65 32.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -42.53 -58.9 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.6 m -47.03 150.6 1.32 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.61 0.719 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.5 63.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.268 . . . . 0.0 112.337 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.0 t -117.25 33.64 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.491 ' C ' ' CG ' ' A' ' 104' ' ' PRO . . . -129.09 134.86 48.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.696 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -115.99 163.86 19.82 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.582 0.706 . . . . 0.0 111.099 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.696 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.76 142.37 47.74 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.268 . . . . 0.0 112.333 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -110.23 -175.53 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 53.78 29.1 9.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 26' ' ' SER . 37.1 tp -59.79 156.13 14.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.404 ' N ' ' HG ' ' A' ' 25' ' ' LEU . 9.0 m -173.02 161.85 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.503 HD23 HG23 ' A' ' 37' ' ' ILE . 5.9 mt -133.79 102.74 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -87.69 87.91 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -53.05 105.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.482 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 10.7 mmm180 -78.59 -45.16 22.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -137.21 -175.7 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.5 p -81.7 -16.18 52.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.37 -10.41 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 p -124.15 142.42 51.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -134.46 129.1 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.482 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 6.1 tpt -89.35 137.74 32.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.627 ' CD1' HG21 ' A' ' 56' ' ' ILE . 4.2 mt -114.38 122.52 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -120.76 120.44 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.655 ' CH2' HD11 ' A' ' 56' ' ' ILE . 37.9 p90 -136.43 166.92 22.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -125.31 153.14 72.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.432 ' HD3' HD13 ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.84 144.35 53.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 170.77 15.77 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.342 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.6 145.01 71.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -31.96 19.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.361 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.02 73.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.6 p -80.31 -45.97 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -39.1 143.97 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -116.75 -16.54 10.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -163.52 156.25 27.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -55.55 133.93 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.475 HG21 ' CE1' ' A' ' 54' ' ' TYR . 65.5 mt -78.01 122.38 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.0 p -92.39 -29.83 16.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -179.41 169.93 41.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.437 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.48 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 41.6 m-85 -116.26 144.61 44.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 110.913 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -107.38 99.55 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.655 HD11 ' CH2' ' A' ' 39' ' ' TRP . 47.7 mt -93.9 116.7 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 69' ' ' GLU . 29.3 mtt-85 -120.47 146.48 46.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.534 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 1.8 p90 -147.37 157.14 43.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.43 ' HB3' HG22 ' A' ' 67' ' ' VAL . 9.9 ptp180 -142.49 178.98 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -99.61 131.63 45.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.53 -48.92 38.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.0 t -69.08 -39.38 79.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -125.68 84.3 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' SER . 1.8 mptp? -64.34 -46.86 81.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.589 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.5 m -34.69 -52.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -67.48 107.29 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 65' ' ' SER . 2.1 t -128.05 142.48 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.419 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 54.2 m -112.12 124.7 52.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 57' ' ' ARG . 4.3 tm-20 -89.83 129.13 36.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.4 m -127.82 128.1 44.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 54' ' ' TYR . 15.4 tp -107.81 141.5 39.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.74 HG11 ' HB2' ' A' ' 79' ' ' GLN . 9.3 m -127.73 -178.38 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 m -84.08 158.55 21.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.06 -52.48 47.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.9 t -68.16 -5.89 20.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 111.165 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -87.12 119.42 27.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.432 HD13 ' HD3' ' A' ' 41' ' ' PRO . 94.3 mt -107.7 13.66 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.432 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 18.2 m -152.62 152.72 32.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.74 ' HB2' HG11 ' A' ' 72' ' ' VAL . 16.6 tp60 -151.87 140.26 20.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 tp -100.66 125.53 47.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.508 HG13 HD11 ' A' ' 37' ' ' ILE . 12.9 mm -106.83 109.84 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -103.9 167.09 10.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.47 38.0 6.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.2 mt -114.72 167.93 10.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -105.51 159.78 15.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -80.53 165.85 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 39.28 51.62 2.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.1 m -147.81 121.57 9.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 111.141 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -68.45 140.38 55.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -135.91 147.95 48.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.9 134.53 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 91.1 m-85 -132.13 149.74 52.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.525 ' HD3' ' CZ2' ' A' ' 108' ' ' TRP . 34.0 ptt180 -154.12 132.2 11.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 106' ' ' THR . 20.6 t -106.73 148.24 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.93 143.21 30.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.37 141.56 28.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.555 ' CD2' HG23 ' A' ' 102' ' ' THR . 12.2 mt -120.09 132.98 55.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.8 p -133.63 173.03 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 tp -53.47 -34.99 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -61.41 -23.02 65.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.15 -125.91 3.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.555 HG23 ' CD2' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -103.17 148.59 25.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.119 -179.84 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -105.94 -173.05 23.56 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.491 ' CG ' ' C ' ' A' ' 20' ' ' ALA . 54.3 Cg_endo -69.68 163.24 38.94 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -112.55 166.88 10.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 94' ' ' VAL . 62.0 p -96.25 131.59 42.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -33.02 136.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.525 ' CZ2' ' HD3' ' A' ' 93' ' ' ARG . 59.1 m95 -55.61 104.7 0.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 109' ' ' LEU . 9.0 tp -100.4 119.14 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 91.2 p -87.93 148.25 24.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.2 128.55 15.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.057 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -100.16 115.37 29.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.7 p -62.26 170.4 2.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -81.36 126.38 31.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -41.81 -35.16 0.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.0 t -150.28 176.31 11.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -67.07 85.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 20.4 tp -118.41 82.81 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.75 111.06 8.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -85.04 171.79 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.5 t -143.02 130.22 20.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -156.01 151.64 27.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.4 p -133.89 126.55 18.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 145.11 56.32 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -102.25 125.8 49.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.401 HG22 ' N ' ' A' ' 127' ' ' SER . 8.0 p -136.77 152.51 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.401 ' N ' HG22 ' A' ' 126' ' ' VAL . 62.4 m -150.83 165.61 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -168.56 146.45 10.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 170.29 17.01 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 36.4 p -124.09 162.39 23.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.7 t -154.96 153.65 31.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.447 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 m -101.86 -54.32 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -119.92 174.78 6.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.6 171.33 43.98 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -166.66 123.59 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.869 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -169.44 171.88 7.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.72 102.5 2.73 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 9' ' ' VAL . 3.2 m-20 -117.21 42.54 2.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.809 0.337 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.531 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.2 p 32.62 42.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.61 112.25 24.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -142.4 140.36 28.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -123.5 122.55 38.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.3 m -95.16 141.6 28.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.7 mt -107.69 101.48 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.2 m -159.4 164.82 34.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -61.74 -66.81 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -44.38 154.16 0.42 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.579 0.704 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 143.09 49.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.8 t -124.04 43.27 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -148.66 114.03 5.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.653 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -87.19 162.85 42.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.623 0.725 . . . . 0.0 111.093 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.653 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.8 Cg_endo -69.78 140.0 41.55 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.635 2.224 . . . . 0.0 112.407 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -104.26 -176.09 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 51.3 36.16 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.505 HD22 ' CB ' ' A' ' 106' ' ' THR . 54.9 tp -64.08 152.55 40.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.431 ' H ' HD12 ' A' ' 25' ' ' LEU . 66.2 p -165.35 155.08 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.416 ' CD1' ' HB2' ' A' ' 111' ' ' ALA . 15.5 mt -126.99 99.31 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -82.69 88.17 6.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.9 90.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.3 mmm-85 -61.44 -54.57 41.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -132.82 -177.27 4.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 p -74.43 -27.99 60.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -106.76 -6.03 18.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.4 m -124.61 143.82 50.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.645 HD11 HG23 ' A' ' 113' ' ' THR . 68.7 mt -143.41 117.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.4 tpp -82.69 136.75 34.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.671 ' CD1' HG21 ' A' ' 56' ' ' ILE . 20.0 mt -111.22 113.57 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -109.4 119.39 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.729 ' CH2' HD11 ' A' ' 56' ' ' ILE . 43.5 p90 -134.17 159.01 42.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 39' ' ' TRP . 1.4 mp0 -114.87 147.47 38.33 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 143.0 49.28 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 171.08 15.14 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.646 2.231 . . . . 0.0 112.391 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.93 154.01 10.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 111.062 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.33 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.15 -47.18 23.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.1 p -59.01 -46.76 87.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -59.73 99.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.4 -15.23 60.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -143.31 -150.94 5.38 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -110.48 145.36 37.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.58 ' HA ' HG22 ' A' ' 98' ' ' THR . 83.1 mt -91.19 131.61 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 68.1 p -101.46 -47.02 4.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.96 169.61 32.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.461 ' CE1' HG21 ' A' ' 51' ' ' ILE . 29.9 m-85 -118.83 127.7 53.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.978 0.418 . . . . 0.0 110.923 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.423 ' HE3' ' CD ' ' A' ' 69' ' ' GLU . 6.8 tttp -92.0 101.35 13.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.729 HD11 ' CH2' ' A' ' 39' ' ' TRP . 21.4 mt -99.81 115.23 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -115.0 144.09 44.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.584 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 49.2 p90 -140.06 154.76 47.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.652 ' HB3' HG22 ' A' ' 67' ' ' VAL . 34.2 ptt180 -147.16 179.49 7.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -90.65 148.77 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.56 -30.92 61.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.7 t -83.4 -55.81 4.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -68.49 -50.67 50.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.1 mttt 49.26 34.77 6.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.4 m -134.12 -36.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -90.39 111.03 22.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.652 HG22 ' HB3' ' A' ' 59' ' ' ARG . 12.0 t -118.39 138.95 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.438 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 25.4 m -108.4 139.91 42.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.423 ' CD ' ' HE3' ' A' ' 55' ' ' LYS . 30.0 tt0 -92.69 133.85 35.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.7 m -138.52 111.67 7.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.5 tp -98.63 146.23 26.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 54' ' ' TYR . 29.8 m -135.7 178.95 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.8 t -79.68 154.59 28.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.65 -61.11 7.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.434 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 t -61.56 -18.77 60.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.725 0.297 . . . . 0.0 111.122 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -72.96 111.17 7.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.2 mt -104.7 27.01 8.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.7 p -150.63 157.14 42.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -158.79 135.78 9.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 tp -105.34 111.43 24.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.4 mm -95.35 94.09 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -92.76 159.96 15.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.57 45.12 3.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 mt -116.94 -175.46 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -109.97 165.35 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 87' ' ' GLY . 14.9 ptt180 -90.04 163.54 14.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 86' ' ' ARG . . . 34.87 48.38 0.72 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.466 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 62.4 m -139.58 126.56 20.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 111.107 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -71.8 141.19 49.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -138.39 146.23 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.466 ' HB3' ' CE3' ' A' ' 108' ' ' TRP . 1.8 m-80 -107.86 134.56 50.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 33.7 m-85 -128.4 162.92 26.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.568 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 11.3 ptm180 -157.04 124.32 5.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.669 HG22 HG12 ' A' ' 56' ' ' ILE . 84.9 t -102.97 134.71 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.86 146.03 50.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.18 136.68 36.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 102' ' ' THR . 6.9 mt -113.38 145.29 41.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.58 HG22 ' HA ' ' A' ' 51' ' ' ILE . 75.6 p -140.62 173.4 11.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 100' ' ' ASN . 4.5 tp -51.3 -39.79 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.155 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.413 ' N ' HG23 ' A' ' 99' ' ' ILE . 3.6 m120 -59.54 -24.55 63.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.96 -123.66 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.415 ' HA ' HD23 ' A' ' 97' ' ' LEU . 63.2 p -101.54 169.84 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 111.165 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.15 -170.48 12.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.521 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 53.3 Cg_endo -69.8 168.73 20.75 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.307 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -125.76 158.05 35.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.505 ' CB ' HD22 ' A' ' 25' ' ' LEU . 80.9 p -83.23 128.83 34.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.4 OUTLIER -33.96 139.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.568 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 38.8 m95 -49.13 106.26 0.1 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.8 tp -102.13 116.84 33.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 53.7 p -84.06 144.5 29.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.416 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . . . -144.71 128.95 17.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -104.43 118.76 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.645 HG23 HD11 ' A' ' 35' ' ' ILE . 1.8 p -68.26 172.35 5.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 119' ' ' ASP . 35.1 m-85 -84.35 115.33 22.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -39.73 -34.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.9 m -136.63 163.08 31.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.803 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -45.76 -42.02 11.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.29 95.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.519 ' HB2' ' CE2' ' A' ' 114' ' ' PHE . 22.2 p-10 -101.95 168.77 9.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -97.82 145.62 26.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.0 t -118.49 137.62 53.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.162 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 51.9 ptt85 -158.46 175.67 13.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.62 128.24 24.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.648 0.737 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 168.57 21.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.629 2.22 . . . . 0.0 112.349 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -117.6 92.34 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 92.8 t -99.32 143.28 13.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 89.9 p -158.67 149.16 19.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 138.55 89.95 0.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.49 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 159.39 53.56 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 90.3 p -136.09 176.12 8.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 68.9 m -114.94 -60.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.491 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 1' ' ' GLY . 12.4 t 35.66 42.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.819 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -76.48 105.4 7.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.53 168.67 21.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 m -149.14 175.69 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -127.87 164.6 21.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.7 -151.12 10.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -162.67 127.41 3.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 p -115.22 150.96 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.33 142.18 31.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.478 HG22 ' N ' ' A' ' 12' ' ' ARG . 11.6 p -124.42 157.34 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.478 ' N ' HG22 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -143.99 144.66 31.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.7 p -106.23 173.05 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.46 123.82 49.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.6 t -158.13 169.04 25.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -41.77 -60.93 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.4 m -43.9 150.3 0.59 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.614 0.721 . . . . 0.0 111.161 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HA ' ' ND2' ' A' ' 48' ' ' ASN . 53.2 Cg_endo -69.8 161.83 44.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.3 t -128.62 16.38 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.655 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -108.98 131.33 55.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.096 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.03 161.8 21.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.77 142.95 49.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.703 2.268 . . . . 0.0 112.38 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -108.36 177.77 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 62.57 29.3 16.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.0 tp -64.22 149.99 46.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -169.05 156.16 7.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.547 ' CD2' HG23 ' A' ' 37' ' ' ILE . 54.7 mt -125.51 95.89 4.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ARG . 12.4 tp10 -80.5 86.53 5.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.0 t -51.49 88.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.463 ' HG3' ' CD1' ' A' ' 80' ' ' LEU . 31.3 mmt180 -59.19 -49.06 79.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -143.29 178.52 7.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.8 p -74.08 -6.57 48.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -127.24 -0.74 6.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.1 t -134.51 150.18 50.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.6 mt -146.27 115.82 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.1 tpp -82.88 128.87 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.8 HD12 HG21 ' A' ' 56' ' ' ILE . 3.8 mt -103.02 118.1 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -110.75 116.76 31.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.598 ' CH2' HD11 ' A' ' 56' ' ' ILE . 43.8 p90 -129.97 179.64 5.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.465 ' O ' ' CB ' ' A' ' 22' ' ' PRO . 28.1 mt-30 -147.65 153.59 43.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 143.65 51.58 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.391 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 171.03 15.24 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.329 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.78 153.14 23.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -34.52 14.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.264 . . . . 0.0 112.321 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.36 -32.49 74.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.655 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 8.5 p -79.37 -29.25 42.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -57.5 145.99 31.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' A' ' 18' ' ' PRO . 40.1 m-20 -116.47 -18.97 10.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -151.77 -136.69 2.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.436 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -120.66 128.99 53.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.809 0.337 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.1 mt -76.82 121.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.3 p -101.08 -32.37 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.95 169.33 42.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.406 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 48.4 m-85 -117.33 155.94 28.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.409 . . . . 0.0 110.93 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -119.64 105.61 11.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.8 HG21 HD12 ' A' ' 37' ' ' ILE . 12.8 mt -97.07 124.49 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -127.45 150.18 49.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.502 ' N ' ' CD1' ' A' ' 58' ' ' TYR . 0.8 OUTLIER -149.88 161.82 41.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -151.27 176.27 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 61' ' ' ALA . 73.1 mttt -98.45 126.61 44.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' LYS . . . -35.54 -53.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.6 m -71.73 -46.09 59.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -104.34 73.39 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -68.6 -42.75 77.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -42.96 -44.76 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.83 109.27 7.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.8 t -125.43 143.48 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.405 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 15.4 m -108.4 135.44 49.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -98.4 122.66 41.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.2 m -127.46 101.24 6.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.501 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -88.4 126.66 35.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.501 ' N ' HD13 ' A' ' 71' ' ' LEU . 30.1 m -115.84 -176.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.7 t -86.9 162.71 17.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.92 -55.66 15.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.0 t -64.11 -11.84 33.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.721 0.296 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -82.84 115.32 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.1 mt -110.69 17.14 20.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.5 p -147.05 147.32 30.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -153.46 142.06 20.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.463 ' CD1' ' HG3' ' A' ' 30' ' ' ARG . 16.2 tp -107.07 125.02 50.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 30.4 mm -107.84 93.66 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.073 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -91.21 161.01 15.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.94 40.46 5.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.4 mt -106.49 -175.6 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.317 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -118.39 140.04 50.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -70.69 160.57 32.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 41.93 46.22 5.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 45.0 m -143.02 123.92 14.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.308 . . . . 0.0 111.182 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.77 132.71 49.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -128.1 143.18 51.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.469 ' O ' ' CB ' ' A' ' 58' ' ' TYR . 3.3 m120 -103.06 134.71 46.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -132.91 150.57 52.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.445 ' NH2' ' NE1' ' A' ' 108' ' ' TRP . 3.4 ptp180 -156.95 138.05 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.654 HG22 HG12 ' A' ' 56' ' ' ILE . 70.0 t -114.68 139.21 41.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.4 141.96 48.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.42 142.02 28.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.662 ' CD2' HG22 ' A' ' 102' ' ' THR . 5.3 mt -119.22 138.23 53.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 74.2 p -130.91 -179.34 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.1 tp -58.63 -33.95 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -68.36 -20.32 64.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 140.08 -137.4 8.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.662 HG22 ' CD2' ' A' ' 97' ' ' LEU . 45.3 p -89.99 167.57 12.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.152 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -122.38 -169.71 13.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.449 ' HG3' ' C ' ' A' ' 20' ' ' ALA . 54.1 Cg_endo -69.75 163.13 39.4 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.37 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.43 141.68 47.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 94' ' ' VAL . 68.3 p -70.58 138.19 50.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.59 138.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.445 ' NE1' ' NH2' ' A' ' 93' ' ' ARG . 54.3 m95 -54.0 106.11 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.3 tp -97.26 113.21 24.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 58.8 p -87.25 140.53 29.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.436 ' HB2' HD12 ' A' ' 27' ' ' LEU . . . -142.18 130.47 22.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -101.48 114.96 29.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.1 p -61.25 172.08 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.198 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 116' ' ' SER . 45.8 m-85 -85.0 123.98 31.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -38.62 -27.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 114' ' ' PHE . 8.1 t -163.34 -179.84 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.95 86.33 4.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 118' ' ' LEU . 2.9 mm? -127.51 77.94 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -130.26 96.15 4.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -130.25 36.62 3.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.7 p -134.76 174.04 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -136.17 118.67 15.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 123' ' ' VAL . 7.8 p -55.2 121.6 37.77 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.718 . . . . 0.0 111.148 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 172.59 12.43 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.314 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -105.22 166.91 10.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.9 t -107.93 -57.56 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 t -174.81 173.21 2.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -132.01 146.55 18.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.84 63.72 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.705 2.27 . . . . 0.0 112.294 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 25.1 p -106.83 173.45 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 84.9 p -124.13 172.89 8.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -45.81 142.62 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -91.85 174.21 7.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.73 -96.11 2.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m 51.82 42.62 30.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -67.57 142.58 56.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.72 170.83 37.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.436 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -156.89 121.06 4.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 p -171.71 139.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.77 134.32 31.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.445 HG22 ' H ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -71.42 89.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -130.45 45.68 2.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.2 m -93.74 140.02 30.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.3 mt -102.28 98.47 8.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.7 p -118.68 161.45 20.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' VAL . 2.5 m-20 -78.56 -43.43 26.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -37.05 151.92 0.12 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.658 0.742 . . . . 0.0 111.141 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.72 67.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.357 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -122.33 35.59 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.694 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -124.32 128.27 48.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 104' ' ' PRO . . . -111.9 155.26 43.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.076 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 136.07 32.11 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.698 2.266 . . . . 0.0 112.329 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -104.41 178.97 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 61.77 27.6 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.0 tp -58.23 153.71 14.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -173.36 161.83 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.809 HD23 HG23 ' A' ' 37' ' ' ILE . 9.3 mt -134.42 103.39 5.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.81 92.02 8.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.76 94.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -71.53 -46.8 58.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -138.66 -176.64 4.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.2 p -82.67 -18.78 39.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -114.6 2.84 14.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.6 p -142.72 144.9 32.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.1 mt -140.75 135.15 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.5 tpp -98.81 138.7 35.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.809 HG23 HD23 ' A' ' 27' ' ' LEU . 2.0 mt -111.23 133.88 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -125.9 115.74 20.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.844 ' CH2' HD11 ' A' ' 56' ' ' ILE . 34.5 p90 -134.04 168.28 19.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -127.91 152.4 77.22 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.578 0.704 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 143.21 49.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.732 2.288 . . . . 0.0 112.281 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.486 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 53.8 Cg_endo -69.77 166.74 26.57 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.629 2.219 . . . . 0.0 112.353 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.45 153.31 20.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -29.54 23.79 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.8 -39.61 73.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.694 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 3.5 p -69.99 -40.07 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -51.39 151.52 2.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -125.46 31.15 5.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 148.0 -171.69 28.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.529 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -83.47 136.06 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.8 mt -80.35 140.89 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.9 p -109.24 -27.22 9.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.72 169.63 36.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -114.07 157.9 21.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.976 0.417 . . . . 0.0 110.916 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -116.96 97.98 6.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.844 HD11 ' CH2' ' A' ' 39' ' ' TRP . 29.5 mt -92.99 102.19 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.163 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -112.07 127.14 55.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.521 ' CZ ' ' HB ' ' A' ' 68' ' ' THR . 10.6 p90 -125.46 161.32 27.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -164.05 150.79 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 90' ' ' TYR . 13.8 mtmt -75.38 144.91 42.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.7 79.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.0 m -74.51 -47.65 31.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -107.56 71.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -61.7 -50.89 70.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 t -40.7 -41.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -73.21 105.51 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 58' ' ' TYR . 2.1 t -128.53 149.48 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.521 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 21.8 m -120.63 133.31 55.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -93.2 130.68 38.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.1 m -132.93 103.11 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.602 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.5 OUTLIER -85.73 135.26 33.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.602 ' N ' HD13 ' A' ' 71' ' ' LEU . 28.7 m -122.83 -179.16 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.1 m -84.87 147.65 26.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.55 -40.27 69.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.9 t -86.48 15.36 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.308 . . . . 0.0 111.175 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -101.09 124.73 47.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.1 mt -112.87 8.67 18.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 75.9 p -139.1 161.68 36.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -167.68 133.38 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.5 tp -99.89 110.59 22.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 48.3 mm -91.57 100.05 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -94.01 166.72 12.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.47 51.63 3.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.442 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.3 mt -120.3 173.83 6.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.792 0.33 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -104.44 163.5 12.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 87' ' ' GLY . 16.5 ptt180 -89.27 162.16 16.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 86' ' ' ARG . . . 35.36 54.87 0.97 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.406 HG21 ' HD3' ' A' ' 60' ' ' LYS . 27.9 m -149.88 134.58 17.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.724 0.297 . . . . 0.0 111.104 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -70.28 141.97 52.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.588 ' CE1' ' HG3' ' A' ' 60' ' ' LYS . 29.8 m-85 -135.05 137.54 43.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -97.22 136.19 38.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 98.9 m-85 -134.18 141.37 47.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.447 ' NE ' ' CZ2' ' A' ' 108' ' ' TRP . 23.5 ptt180 -149.16 137.82 21.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.9 t -114.71 143.78 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -143.44 147.21 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.22 142.49 27.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.562 ' CD2' HG23 ' A' ' 102' ' ' THR . 9.1 mt -119.5 133.6 55.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 62.1 p -136.49 174.77 10.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 tt -59.23 -20.14 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -80.75 -9.29 59.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 127.2 -138.68 10.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.562 HG23 ' CD2' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -95.69 151.32 19.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 111.143 -179.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -104.9 -169.93 24.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.479 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.7 157.86 59.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.96 138.03 51.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 107' ' ' ASP . 71.7 p -70.13 135.16 48.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.173 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.1 OUTLIER -33.97 141.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.447 ' CZ2' ' NE ' ' A' ' 93' ' ' ARG . 45.3 m95 -62.43 103.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.3 tp -94.45 116.71 29.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.4 m -88.74 143.99 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -140.97 132.42 26.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -99.01 113.47 25.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.44 166.14 4.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.147 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -78.45 127.6 32.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -46.46 -21.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.0 t -160.04 160.64 33.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 118' ' ' LEU . 77.6 m-20 -51.92 -40.52 60.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 117' ' ' ASP . 17.4 mt -35.97 117.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -147.28 121.73 9.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -93.46 142.82 26.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 39.8 m -98.58 135.32 40.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -120.75 154.37 35.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 12.6 t -119.03 129.37 25.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 162.05 43.57 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.306 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -112.75 163.81 14.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 94.0 t -91.89 135.94 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 t -103.41 168.55 9.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -129.01 164.18 22.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 157.96 58.65 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.704 2.269 . . . . 0.0 112.382 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 27.8 t -96.25 -55.47 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 56.6 p -135.03 176.62 8.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -156.36 155.5 32.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.0 110.886 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -173.02 154.53 2.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.2 123.06 0.87 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 m -135.77 154.87 51.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.832 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 t -142.8 127.85 18.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.34 39.02 2.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -128.91 123.23 32.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.8 m -80.73 131.17 34.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.67 112.73 1.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.3 p -159.88 135.58 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -115.34 -59.34 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.7 m -114.52 144.93 42.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 14' ' ' LEU . 1.9 pp -174.34 110.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.9 p -175.03 168.93 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -73.17 -50.0 25.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -38.48 155.11 0.13 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 146.12 59.15 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 t -123.82 39.13 4.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 42' ' ' PRO . . . -124.08 110.41 14.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.619 ' HB2' ' HB2' ' A' ' 104' ' ' PRO . . . -94.85 158.47 35.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 111.075 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.524 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.3 Cg_endo -69.75 138.84 38.8 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -103.53 -176.29 3.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 47.9 41.44 14.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.464 HD22 ' HB ' ' A' ' 106' ' ' THR . 42.9 tp -67.46 157.24 34.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.405 ' N ' ' HG ' ' A' ' 25' ' ' LEU . 3.7 m -173.03 159.65 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.739 HD23 HG23 ' A' ' 37' ' ' ILE . 9.0 mt -128.54 104.98 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' ARG . 10.6 tp10 -85.67 81.79 8.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.6 t -52.91 88.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' GLU . 52.8 mmm-85 -57.59 -55.02 40.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -135.12 -177.62 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.6 p -75.03 -29.72 60.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -100.79 -15.3 17.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.8 p -120.99 139.67 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.669 HD12 HD13 ' A' ' 84' ' ' LEU . 90.8 mt -135.43 112.31 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.524 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 4.4 ttm -82.29 144.14 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.739 HG23 HD23 ' A' ' 27' ' ' LEU . 5.8 mt -116.49 133.1 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.524 ' CD2' ' HG2' ' A' ' 36' ' ' MET . 81.4 m-70 -125.54 121.47 33.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.809 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.789 ' CH2' HD11 ' A' ' 56' ' ' ILE . 39.2 p90 -138.65 156.11 47.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -112.21 148.45 39.12 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 144.48 54.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.452 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 54.0 Cg_endo -69.8 168.98 20.05 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.11 150.67 19.72 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 0.0 111.055 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -39.74 6.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.53 -45.63 91.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.8 p -64.28 -34.08 77.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -58.26 117.53 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -79.35 -30.54 42.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.7 178.16 28.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -72.25 127.9 34.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.631 ' HA ' HG22 ' A' ' 98' ' ' THR . 89.4 mt -71.22 149.63 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 39.5 p -117.82 -41.56 2.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.29 176.74 39.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.403 ' CD2' ' NE1' ' A' ' 39' ' ' TRP . 2.6 m-85 -124.57 140.33 53.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.977 0.418 . . . . 0.0 110.868 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -101.2 101.35 12.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.789 HD11 ' CH2' ' A' ' 39' ' ' TRP . 30.1 mt -98.1 108.36 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -109.78 136.79 48.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.453 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 51.1 p90 -137.46 138.51 39.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.517 ' NE ' ' CH2' ' A' ' 108' ' ' TRP . 11.3 ptp180 -126.95 -179.91 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -100.74 139.22 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.26 -50.79 71.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.9 t -47.84 -33.36 7.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -145.17 112.38 6.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.99 1.58 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -85.52 -41.08 15.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.9 98.95 2.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.414 ' HB ' ' HB3' ' A' ' 59' ' ' ARG . 1.9 p -129.05 134.73 63.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.8 m -114.59 144.77 42.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -99.6 147.78 25.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.0 m -146.03 117.62 8.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.8 tp -94.5 153.8 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.6 m -147.66 175.24 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 t -80.19 154.71 27.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.63 -54.7 35.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 t -66.2 -12.11 54.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.701 0.286 . . . . 0.0 111.09 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -81.19 110.73 16.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.4 mt -105.68 25.64 10.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.8 p -153.3 148.8 27.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.482 ' OE1' ' N ' ' A' ' 80' ' ' LEU . 5.9 tp-100 -149.26 139.85 22.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.482 ' N ' ' OE1' ' A' ' 79' ' ' GLN . 28.4 tp -108.52 109.35 20.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.4 mm -97.28 107.28 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -103.52 165.86 10.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.92 42.28 5.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.669 HD13 HD12 ' A' ' 35' ' ' ILE . 4.5 mt -116.52 169.8 9.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -101.98 149.25 24.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -76.08 162.99 27.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.4 51.56 7.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 34.1 m -147.15 130.58 16.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.757 0.313 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -74.11 131.17 41.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -125.65 148.6 48.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.48 139.72 44.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 58' ' ' TYR . 95.1 m-85 -135.1 152.92 52.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.706 HH21 ' HB2' ' A' ' 105' ' ' ALA . 11.4 ptm180 -154.29 131.83 11.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.522 HG22 HG12 ' A' ' 56' ' ' ILE . 71.4 t -111.5 140.6 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -143.06 144.86 32.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -87.64 144.65 26.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.4 mt -122.91 134.63 54.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.631 HG22 ' HA ' ' A' ' 51' ' ' ILE . 63.3 p -133.44 173.21 11.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 16.9 tt -51.55 -37.08 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -57.42 -24.08 53.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.15 -101.81 0.28 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.446 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.2 p -120.87 176.97 5.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 111.139 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -134.83 -173.8 13.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.619 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 53.9 Cg_endo -69.79 152.95 69.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.371 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.706 ' HB2' HH21 ' A' ' 93' ' ' ARG . . . -114.8 147.98 39.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.476 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 67.8 p -74.66 133.55 42.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.38 138.6 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.517 ' CH2' ' NE ' ' A' ' 59' ' ' ARG . 38.7 m95 -51.36 104.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.1 tp -98.74 112.63 24.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.3 m -81.67 147.65 29.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.88 130.26 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.044 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -99.62 122.26 42.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.576 HG23 HD11 ' A' ' 35' ' ' ILE . 1.4 p -68.92 170.72 9.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -84.0 121.39 27.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -38.16 -37.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.9 m -149.61 174.62 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -66.59 -37.53 85.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.505 ' H ' HD12 ' A' ' 118' ' ' LEU . 6.1 mp -57.4 114.85 2.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -168.13 123.51 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -90.26 148.55 22.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.9 t -116.11 139.55 50.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.16 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -118.83 165.68 13.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 123' ' ' VAL . 8.4 p -149.38 125.58 5.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.62 0.724 . . . . 0.0 111.142 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -176.85 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.287 . . . . 0.0 112.33 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -130.41 176.2 8.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.2 p -173.8 142.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 45.0 m -130.61 172.59 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 177.5 83.59 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -171.22 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.311 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.8 m 62.58 48.91 4.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.5 m -49.96 -56.78 9.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -166.99 147.75 5.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 0.0 110.875 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -162.86 176.42 10.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.45 112.42 0.66 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -169.22 126.75 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.871 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.3 t -173.7 170.32 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.94 119.31 3.31 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.469 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.75 111.83 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 110.845 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.0 t -144.51 137.57 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.097 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.54 137.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t -151.35 132.56 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -113.03 99.06 7.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.4 m -83.44 141.75 31.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.163 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.1 mt -92.34 50.0 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.3 m -146.95 151.99 37.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.41 -55.5 10.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.2 m -61.28 153.04 70.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.721 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 141.77 46.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.4 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -116.03 58.8 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.484 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -148.47 124.16 10.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -106.69 158.0 33.81 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.582 0.706 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.78 132.4 23.22 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.727 2.285 . . . . 0.0 112.301 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -100.92 -177.26 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 51.41 36.59 16.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.485 HD12 ' H ' ' A' ' 26' ' ' SER . 61.8 tp -63.2 157.54 22.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.485 ' H ' HD12 ' A' ' 25' ' ' LEU . 5.3 p -167.92 152.95 6.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.64 HD23 HG23 ' A' ' 37' ' ' ILE . 19.7 mt -125.0 95.69 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -81.35 91.46 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.35 89.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -61.33 -52.11 66.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -134.34 177.95 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 93.8 p -75.61 -20.01 58.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' LEU . 16.9 ptmt -109.8 -14.79 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 p -123.81 143.92 50.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.573 HD11 HG23 ' A' ' 113' ' ' THR . 94.1 mt -135.23 117.47 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.547 ' HG2' ' CD2' ' A' ' 38' ' ' HIS . 5.0 ttm -84.28 135.06 34.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.684 HD12 HG21 ' A' ' 56' ' ' ILE . 10.4 mt -108.74 127.5 65.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.547 ' CD2' ' HG2' ' A' ' 36' ' ' MET . 86.8 m-70 -119.56 123.97 45.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.572 ' CH2' HD11 ' A' ' 56' ' ' ILE . 42.2 p90 -139.71 174.36 10.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -131.58 153.58 81.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.603 0.716 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.42 45.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.319 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 170.32 16.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.06 152.83 48.91 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.558 0.695 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -46.62 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.22 -50.47 20.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.043 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.459 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 35.0 p -64.14 -46.14 85.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -45.24 122.17 3.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -100.64 35.11 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 157.09 -138.05 5.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.512 ' O ' HG22 ' A' ' 98' ' ' THR . 15.5 tt0 -124.24 138.91 54.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.759 0.314 . . . . 0.0 110.915 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.557 HD13 ' OH ' ' A' ' 54' ' ' TYR . 76.7 mt -78.52 127.74 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.1 p -104.14 -38.6 6.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.49 ' C ' HD12 ' A' ' 97' ' ' LEU . . . -164.96 170.63 40.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.557 ' OH ' HD13 ' A' ' 51' ' ' ILE . 92.9 m-85 -122.24 142.1 50.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.42 . . . . 0.0 110.929 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.58 ' HE3' HD21 ' A' ' 97' ' ' LEU . 15.2 ttmt -105.82 100.98 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.684 HG21 HD12 ' A' ' 37' ' ' ILE . 65.3 mt -96.72 113.03 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -115.01 137.79 51.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.589 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 53.3 p90 -135.49 140.5 44.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.3 ptt85 -128.78 177.91 6.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -100.29 137.91 38.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.79 -45.94 64.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -86.18 -52.6 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -93.45 47.64 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -41.7 -40.87 2.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.5 t -46.71 -43.99 18.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -75.46 95.33 3.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.7 p -127.0 139.74 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.9 m -113.48 146.45 39.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -104.67 131.66 51.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.9 m -120.11 142.7 48.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.168 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.737 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.5 OUTLIER -122.54 135.41 54.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.737 ' N ' HD13 ' A' ' 71' ' ' LEU . 34.7 m -128.06 178.84 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 m -80.88 167.38 19.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.6 -57.45 7.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.3 t -60.68 -24.76 65.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.705 0.288 . . . . 0.0 111.131 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.499 ' NE2' ' OE1' ' A' ' 79' ' ' GLN . 21.8 tt0 -70.48 114.24 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.7 mt -105.18 27.57 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.534 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 35.3 m -164.31 152.61 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.518 ' HB2' HG11 ' A' ' 72' ' ' VAL . 32.5 tp60 -143.83 160.82 40.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.9 tp -120.69 108.07 13.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.0 mm -95.55 99.96 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -97.94 165.17 12.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.38 49.39 3.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' LYS . 8.6 mt -120.3 -178.3 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.788 0.328 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -115.66 147.01 41.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -73.69 162.06 29.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 42.96 49.41 6.25 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.6 m -146.38 126.54 13.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 111.166 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -69.9 142.98 52.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -143.06 137.82 29.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.51 153.07 18.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 68.1 m-85 -148.68 151.22 34.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.584 ' HD2' ' CZ2' ' A' ' 108' ' ' TRP . 14.5 ptm180 -151.74 126.57 9.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.51 HG22 HG12 ' A' ' 56' ' ' ILE . 84.5 t -102.91 130.17 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.71 148.18 51.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.054 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.426 ' HA ' ' CD1' ' A' ' 54' ' ' TYR . . . -90.5 151.53 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.58 HD21 ' HE3' ' A' ' 55' ' ' LYS . 6.4 mt -128.76 140.29 51.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 50' ' ' GLN . 72.8 p -141.82 179.53 6.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.4 tt -60.29 -31.37 48.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -67.23 -18.97 65.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 137.33 -122.23 2.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.428 HG22 ' CD2' ' A' ' 97' ' ' LEU . 20.9 p -107.41 165.53 11.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 111.175 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -124.69 -173.9 13.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.484 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.7 Cg_endo -69.76 160.55 49.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.413 ' HB3' HH21 ' A' ' 93' ' ' ARG . . . -114.27 -179.54 3.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 107' ' ' ASP . 69.5 p -104.79 132.97 50.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.477 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.3 OUTLIER -32.0 130.63 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.584 ' CZ2' ' HD2' ' A' ' 93' ' ' ARG . 31.1 m95 -47.33 98.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.2 tp -96.23 116.14 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 81.5 p -88.11 151.74 22.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -148.34 130.37 15.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -98.25 119.56 37.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.573 HG23 HD11 ' A' ' 35' ' ' ILE . 1.1 p -65.07 168.07 7.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -74.16 112.19 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -45.46 -24.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 118' ' ' LEU . 1.3 t -153.08 132.36 12.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.12 88.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 116' ' ' SER . 41.7 mt -122.22 117.27 25.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -72.38 111.05 7.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -111.46 142.89 43.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 87.3 m -107.43 114.29 28.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -169.84 137.41 1.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.534 HG13 ' HD2' ' A' ' 124' ' ' PRO . 66.7 t -146.93 135.84 11.27 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.685 0.755 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.534 ' HD2' HG13 ' A' ' 123' ' ' VAL . 54.0 Cg_endo -69.74 -174.0 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -167.14 115.34 0.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 89.5 t -127.5 134.08 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.4 p -160.08 130.65 5.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 140.73 75.46 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -178.88 2.56 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.32 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 72.2 p -171.98 128.83 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.0 t -97.67 -49.81 4.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.43 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.3 p -111.06 139.05 46.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.3 p -134.85 161.7 34.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.86 87.12 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -114.91 -61.9 1.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.37 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -174.93 172.84 2.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.26 40.33 2.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 41.2 42.68 1.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.353 . . . . 0.0 110.821 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.3 m -87.39 41.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.44 171.13 9.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.39 99.4 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 13' ' ' THR . 49.3 mtt180 -45.65 -51.05 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' ARG . 28.4 m -37.6 143.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.508 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -122.64 94.48 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.412 ' HB3' HG22 ' A' ' 17' ' ' VAL . 5.4 m -120.12 143.79 47.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -46.87 -51.67 16.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.412 HG22 ' HB3' ' A' ' 15' ' ' SER . 14.6 m -42.75 153.49 0.32 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 0.0 111.089 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 149.09 66.51 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.647 2.232 . . . . 0.0 112.353 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 t -124.26 41.8 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.452 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -131.73 124.68 30.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.501 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -107.95 157.74 35.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.545 0.688 . . . . 0.0 111.099 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 54.0 Cg_endo -69.73 140.81 43.72 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.373 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -108.23 -175.78 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 49.85 40.33 20.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -66.25 148.81 51.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -162.26 156.29 21.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 mt -128.88 102.06 6.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -88.01 79.19 8.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.9 102.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -70.02 -51.13 34.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -135.46 -175.09 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.563 ' O ' HG21 ' A' ' 113' ' ' THR . 48.8 p -79.18 -27.81 42.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -0.49 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.0 m -135.5 154.0 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -146.63 126.25 5.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.53 ' HE3' ' C ' ' A' ' 79' ' ' GLN . 5.7 tpt -89.79 138.75 31.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.505 ' CD1' HG21 ' A' ' 56' ' ' ILE . 9.7 mt -115.83 117.82 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.424 ' NE2' ' HG2' ' A' ' 36' ' ' MET . 91.3 m-70 -114.17 121.98 45.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.605 ' CH2' HD11 ' A' ' 56' ' ' ILE . 38.7 p90 -140.11 167.29 22.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -125.95 154.74 73.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.635 0.731 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 144.5 54.18 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 169.77 18.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.62 149.29 31.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 111.124 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -46.84 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.648 2.232 . . . . 0.0 112.295 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.25 -32.89 17.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' GLN . 36.1 p -81.15 -45.84 15.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' THR . 53.2 mt-30 -34.38 133.36 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -112.44 36.7 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.37 -163.84 26.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -92.75 130.12 38.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.744 0.306 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.8 mt -77.18 128.16 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.077 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.6 p -93.98 -42.69 8.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -167.26 175.64 42.33 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -116.59 138.54 51.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.943 0.401 . . . . 0.0 110.927 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.786 ' HE2' HD21 ' A' ' 97' ' ' LEU . 16.2 ttmm -103.24 92.45 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.738 HG12 HG22 ' A' ' 94' ' ' VAL . 53.8 mt -89.72 124.56 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -125.96 143.68 50.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.574 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 13.4 p90 -140.67 156.58 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -148.72 175.16 11.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -96.84 133.61 41.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.36 -47.65 9.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 t -71.71 -55.93 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -101.73 83.41 2.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -76.09 -43.5 43.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.9 t -39.0 -42.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -82.85 110.85 18.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -124.94 147.97 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.071 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.503 ' HB ' ' CE1' ' A' ' 58' ' ' TYR . 25.7 m -109.52 138.75 45.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -97.0 139.87 32.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.2 m -137.25 118.22 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.171 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.52 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -107.17 127.8 53.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.52 ' N ' HD13 ' A' ' 71' ' ' LEU . 21.0 m -124.19 178.51 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -74.61 156.64 36.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.13 -56.25 21.57 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.8 t -65.06 -16.5 63.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 111.154 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -73.8 111.89 9.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.8 mt -104.04 28.91 6.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.0 p -150.27 152.18 34.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.551 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -152.84 131.73 12.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.898 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.551 ' N ' ' CD ' ' A' ' 79' ' ' GLN . 41.1 tp -109.52 109.9 20.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.3 mm -92.02 104.05 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -96.94 161.17 13.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.64 41.33 4.18 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mt -113.82 174.98 5.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.799 0.333 . . . . 0.0 110.933 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -113.97 160.27 19.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -84.21 160.41 20.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 47.47 51.35 16.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.41 ' HB ' ' CE2' ' A' ' 90' ' ' TYR . 31.7 m -149.98 139.14 21.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 111.161 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -85.61 142.4 29.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.41 ' CE2' ' HB ' ' A' ' 88' ' ' THR . 95.9 m-85 -142.96 137.34 29.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.415 ' CB ' ' CE3' ' A' ' 108' ' ' TRP . 0.6 OUTLIER -96.07 148.73 22.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 50.9 m-85 -142.16 154.75 45.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -152.74 137.51 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.738 HG22 HG12 ' A' ' 56' ' ' ILE . 84.1 t -111.28 136.7 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 105' ' ' ALA . . . -135.81 150.23 49.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.15 149.0 22.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.786 HD21 ' HE2' ' A' ' 55' ' ' LYS . 12.6 mt -124.19 137.04 54.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 74.5 p -136.64 170.07 16.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.0 tt -53.47 -33.32 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -65.71 -20.35 66.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 128.81 -167.36 20.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.661 ' HA ' HD23 ' A' ' 97' ' ' LEU . 17.2 p -50.56 159.4 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.824 0.345 . . . . 0.0 111.142 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -126.87 -174.41 13.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.452 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.6 Cg_endo -69.72 155.87 64.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 95' ' ' ALA . . . -121.85 154.07 37.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.462 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 74.6 p -76.43 168.7 19.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -62.1 170.95 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.415 ' CE3' ' CB ' ' A' ' 91' ' ' ASN . 22.5 m95 -87.44 93.54 9.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.0 tp -86.12 116.78 24.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 62.8 p -85.68 131.74 34.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -132.55 128.95 38.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -102.0 117.04 33.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.563 HG21 ' O ' ' A' ' 32' ' ' SER . 2.7 p -59.31 169.96 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' GLU . 63.5 m-85 -77.93 115.94 18.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' PHE . 1.6 tt0 -34.17 -38.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 114' ' ' PHE . 3.0 t -134.73 159.95 39.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.31 97.89 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.65 111.75 6.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -75.86 99.96 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -65.34 143.98 57.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 64.9 p -98.1 150.5 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -137.25 176.26 8.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.7 p -158.27 126.52 2.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 111.155 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 173.6 10.76 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.671 2.247 . . . . 0.0 112.341 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 126' ' ' VAL . 12.0 mt-10 -125.14 44.97 2.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.557 ' O ' HG22 ' A' ' 126' ' ' VAL . 14.3 p 32.03 45.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.0 m -42.21 -43.6 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.74 171.54 10.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 178.69 4.3 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 38.5 p -122.37 -55.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.8 m -169.04 147.79 3.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 t -140.29 142.71 35.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 110.814 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -171.59 156.51 4.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.21 151.1 6.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -166.36 131.11 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 110.816 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 t -167.78 133.12 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.58 -164.83 36.5 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 9' ' ' VAL . 30.4 p-10 -149.43 176.67 10.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 9' ' ' VAL . 13.9 p -36.78 126.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.06 168.14 26.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.9 t -92.4 133.53 33.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -120.74 106.51 11.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.4 p -142.85 131.94 23.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.2 mt -127.58 141.33 51.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.09 160.97 35.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.449 ' N ' ' OD1' ' A' ' 16' ' ' ASP . 0.4 OUTLIER -41.83 -39.85 1.9 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m -65.54 152.53 92.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 111.097 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 130.18 18.94 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.393 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.7 p -107.98 51.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.583 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -164.05 131.5 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.788 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -104.97 166.52 11.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.573 0.701 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.788 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.5 Cg_endo -69.77 133.44 25.56 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -101.19 179.6 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 58.45 36.57 25.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.2 tp -66.46 150.61 48.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.0 m -168.07 168.89 11.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.457 HD23 HG23 ' A' ' 37' ' ' ILE . 13.4 mt -138.87 108.69 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.7 tp10 -91.74 83.91 5.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.4 t -52.28 88.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.102 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' GLU . 23.2 mmm180 -58.39 -54.36 47.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -136.89 -176.04 4.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.607 ' O ' HG21 ' A' ' 113' ' ' THR . 59.9 p -74.73 -21.93 59.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -114.42 -6.59 12.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 p -125.35 133.46 52.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.521 HD12 HD13 ' A' ' 84' ' ' LEU . 92.2 mt -133.66 115.6 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.415 ' HG2' ' NE2' ' A' ' 38' ' ' HIS . 1.7 ttm -86.71 147.1 26.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.457 HG23 HD23 ' A' ' 27' ' ' LEU . 12.5 mt -114.46 144.47 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.415 ' NE2' ' HG2' ' A' ' 36' ' ' MET . 90.4 m-70 -135.05 114.92 12.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.889 ' CH2' HD11 ' A' ' 56' ' ' ILE . 38.8 p90 -133.57 171.56 13.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -129.39 154.49 80.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.536 0.684 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.31 50.55 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.377 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.97 17.67 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.372 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.16 149.57 24.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.54 0.686 . . . . 0.0 111.058 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -38.28 7.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.636 2.224 . . . . 0.0 112.39 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.75 -25.9 67.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.583 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 39.9 p -95.97 21.34 8.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -112.84 74.8 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.11 -17.92 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.51 177.1 28.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -81.64 154.04 26.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.7 mt -93.53 139.35 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 76.0 p -109.5 -33.67 6.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.86 166.25 36.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.473 ' O ' HD13 ' A' ' 71' ' ' LEU . 98.6 m-85 -111.89 142.38 44.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.958 0.409 . . . . 0.0 110.926 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -101.51 95.59 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.889 HD11 ' CH2' ' A' ' 39' ' ' TRP . 36.0 mt -88.57 113.89 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -120.95 134.45 55.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.584 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 18.3 p90 -136.65 147.27 46.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -136.25 178.58 6.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 61' ' ' ALA . 32.4 mtpt -96.67 125.99 41.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 60' ' ' LYS . . . -34.68 -47.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -80.81 -48.92 11.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -98.08 88.12 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -76.25 -48.61 19.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.481 ' O ' HG23 ' A' ' 67' ' ' VAL . 47.6 m -41.72 -47.79 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -70.95 103.36 2.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 65' ' ' SER . 2.2 t -124.25 148.07 28.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 95.1 m -114.65 133.53 55.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.52 132.72 40.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.9 m -143.0 106.7 4.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.174 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 54' ' ' TYR . 3.5 mm? -86.94 156.74 19.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 54' ' ' TYR . 31.6 m -138.46 171.92 14.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 p -68.38 151.24 47.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.52 -34.04 54.77 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -93.49 1.0 56.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.71 0.29 . . . . 0.0 111.083 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.424 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 5.0 tt0 -72.25 119.49 16.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.7 mt -108.93 9.5 26.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.6 m -161.96 154.3 19.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.404 ' HB3' HD13 ' A' ' 56' ' ' ILE . 19.9 tp60 -145.81 149.04 33.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' A' ' 79' ' ' GLN . 18.7 tp -106.19 114.1 28.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.9 mm -100.87 106.63 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -104.97 160.43 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.59 48.67 2.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.521 HD13 HD12 ' A' ' 35' ' ' ILE . 2.2 mt -126.31 164.21 21.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.82 153.76 18.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.407 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 13.6 ptt180 -75.06 161.41 29.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 43.51 58.76 3.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.51 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 31.2 m -152.12 119.38 5.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.763 0.316 . . . . 0.0 111.168 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.41 139.59 58.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 88' ' ' THR . 91.6 m-85 -138.8 147.07 42.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -105.03 145.75 30.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 79.6 m-85 -142.3 138.41 31.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.556 ' HD3' ' CZ2' ' A' ' 108' ' ' TRP . 28.5 ptt180 -143.69 130.18 20.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.592 HG22 HG12 ' A' ' 56' ' ' ILE . 90.4 t -103.52 139.77 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.34 144.76 44.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.44 145.75 24.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.46 ' CD1' HD11 ' A' ' 71' ' ' LEU . 11.8 mt -125.44 140.31 52.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.9 p -139.51 172.08 13.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.1 tp -54.27 -35.61 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -63.57 -21.67 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 140.9 -139.36 9.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.426 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.8 p -89.65 169.95 10.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 111.139 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -127.62 -170.56 12.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.553 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 53.6 Cg_endo -69.72 158.54 56.67 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.321 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.8 134.16 55.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.054 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 94' ' ' VAL . 70.3 p -61.59 155.85 21.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -50.42 170.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.556 ' CZ2' ' HD3' ' A' ' 93' ' ' ARG . 23.1 m95 -87.37 93.86 9.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.0 tp -89.63 119.42 30.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.8 m -92.01 144.4 25.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.65 131.76 20.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -105.3 118.08 35.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.607 HG21 ' O ' ' A' ' 32' ' ' SER . 0.8 OUTLIER -56.76 172.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 116' ' ' SER . 48.0 m-85 -84.95 116.65 23.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 114' ' ' PHE . 31.0 mt-10 -36.5 -33.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' PHE . 16.0 m -142.74 139.35 31.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -91.19 99.44 12.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.495 ' O ' ' C ' ' A' ' 119' ' ' ASP . 12.1 mt -120.06 37.58 4.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' A' ' 118' ' ' LEU . 4.9 m-20 30.79 51.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -51.73 105.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 28.3 m -110.42 147.0 34.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.29 -174.99 2.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 5.3 p -134.13 124.41 17.4 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.68 0.752 . . . . 0.0 111.054 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -179.85 3.2 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -126.8 133.22 50.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.9 p -125.12 145.1 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 37.3 t -163.87 159.13 20.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 171.62 164.1 26.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -171.81 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.653 2.235 . . . . 0.0 112.323 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 58.8 m -118.15 -64.15 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 t -132.76 170.32 15.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -171.41 174.66 4.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 p -168.02 147.35 4.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.91 175.46 14.69 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -166.58 165.17 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -154.62 171.04 20.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.07 178.51 16.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.454 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -147.53 156.59 42.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.828 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.1 t -134.13 140.02 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.6 133.26 22.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.4 t -64.97 149.59 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 13' ' ' THR . 4.5 ptp180 -117.33 -36.05 3.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.4 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 8.4 m -57.76 138.44 55.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.502 ' H ' HD12 ' A' ' 14' ' ' LEU . 6.9 mp -52.69 -51.34 60.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ASP . 16.5 m 40.22 46.04 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' SER . 9.3 p-10 -34.39 -43.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 m -58.56 153.87 37.68 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.67 0.747 . . . . 0.0 111.097 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 151.24 69.54 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.383 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 p -126.12 42.16 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.475 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -135.58 133.28 38.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.662 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -115.68 162.81 23.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.703 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.662 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.2 Cg_endo -69.79 134.38 27.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.64 2.227 . . . . 0.0 112.343 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -97.67 -174.92 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 43.28 49.33 5.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.7 tp -70.78 152.08 44.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -163.23 161.28 24.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.667 HD23 HG23 ' A' ' 37' ' ' ILE . 19.8 mt -133.2 101.88 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -82.6 91.45 6.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.87 90.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.457 ' HG3' ' CD1' ' A' ' 80' ' ' LEU . 14.3 mmm180 -60.47 -54.26 47.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -136.04 -175.61 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.444 ' O ' HG21 ' A' ' 113' ' ' THR . 54.3 p -74.73 -29.36 61.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -103.28 -16.54 15.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 p -115.84 139.87 49.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.72 HD12 HD13 ' A' ' 84' ' ' LEU . 91.6 mt -136.75 107.49 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.159 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.5 ttm -79.12 139.93 37.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.849 ' CD1' HG21 ' A' ' 56' ' ' ILE . 15.2 mt -107.89 142.54 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -133.83 115.97 15.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.694 ' CH2' HD11 ' A' ' 56' ' ' ILE . 42.9 p90 -132.33 164.54 26.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -118.31 152.82 51.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.69 48.59 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.722 2.281 . . . . 0.0 112.319 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 171.06 15.1 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.384 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.83 147.91 29.84 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.556 0.693 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -30.11 22.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.19 -52.76 24.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.155 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.421 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 43.3 p -56.79 -37.99 71.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -39.06 142.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -125.71 35.65 4.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 137.1 176.19 14.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -70.46 135.69 48.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 0.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.2 mt -80.91 121.33 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.8 p -85.08 -44.73 12.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.494 ' C ' HD12 ' A' ' 97' ' ' LEU . . . -164.95 167.36 38.62 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.547 ' O ' HG22 ' A' ' 72' ' ' VAL . 39.0 m-85 -112.06 129.19 56.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.94 0.4 . . . . 0.0 110.908 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.508 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 2.6 tptp -92.42 126.2 37.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.849 HG21 ' CD1' ' A' ' 37' ' ' ILE . 19.0 mt -123.36 121.31 62.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -119.23 152.56 36.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.506 ' CZ ' ' HB ' ' A' ' 68' ' ' THR . 49.5 p90 -156.96 140.56 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.741 ' HB3' HG22 ' A' ' 67' ' ' VAL . 20.7 ptt180 -136.26 174.43 10.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.41 ' HG2' ' CE1' ' A' ' 90' ' ' TYR . 28.8 mtpt -87.96 140.91 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.48 99.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.8 t -74.1 -59.58 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -58.55 -46.77 86.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm 43.99 25.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -132.83 -33.09 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -93.46 110.78 22.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.741 HG22 ' HB3' ' A' ' 59' ' ' ARG . 2.7 t -120.89 153.41 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.506 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 30.1 m -123.44 136.82 54.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.27 144.62 25.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.2 m -138.47 132.05 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.7 OUTLIER -116.55 130.19 56.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.83 ' N ' HD13 ' A' ' 71' ' ' LEU . 33.3 m -123.93 169.18 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.5 m -69.29 154.55 41.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.76 -50.4 63.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -83.52 33.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.728 0.299 . . . . 0.0 111.119 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -117.82 108.41 15.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.4 mt -102.08 31.34 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.6 p -159.63 160.58 34.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -162.54 153.59 17.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.457 ' CD1' ' HG3' ' A' ' 30' ' ' ARG . 22.2 tp -120.84 110.79 16.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.7 mm -98.18 105.09 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -102.26 163.3 12.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.25 43.09 4.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.444 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.72 HD13 HD12 ' A' ' 35' ' ' ILE . 6.8 mt -120.29 166.09 13.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -94.33 148.23 22.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -74.31 163.22 28.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 39.48 55.48 2.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.6 m -144.87 140.79 28.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.306 . . . . 0.0 111.129 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -81.68 128.94 34.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.41 ' CE1' ' HG2' ' A' ' 60' ' ' LYS . 67.1 m-85 -131.17 146.45 52.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -104.83 145.01 30.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -139.66 153.57 47.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -156.02 133.19 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.522 HG11 ' CG ' ' A' ' 39' ' ' TRP . 64.9 t -103.2 145.54 12.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.508 ' HB3' ' HB3' ' A' ' 55' ' ' LYS . . . -140.92 152.7 45.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.7 151.36 22.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.494 HD12 ' C ' ' A' ' 53' ' ' GLY . 6.8 mt -129.95 138.99 51.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -137.4 170.68 15.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 100' ' ' ASN . 9.0 tt -50.24 -40.1 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.406 ' N ' HG23 ' A' ' 99' ' ' ILE . 45.5 m-80 -56.18 -25.43 46.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.26 -130.03 4.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.464 HG23 ' CD2' ' A' ' 97' ' ' LEU . 2.0 m -94.91 151.86 18.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.822 0.344 . . . . 0.0 111.144 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -109.67 -176.54 21.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.501 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.475 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.3 Cg_endo -69.81 161.28 46.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.692 2.262 . . . . 0.0 112.337 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.77 141.34 51.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.3 p -66.04 167.09 10.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.24 177.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -87.5 96.81 10.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.1 tp -92.9 114.8 27.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.6 t -85.65 157.62 20.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.93 128.69 10.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -97.99 117.08 31.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.444 HG21 ' O ' ' A' ' 32' ' ' SER . 2.9 p -66.76 167.84 10.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 115' ' ' GLU . 50.5 m-85 -82.52 113.67 20.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 114' ' ' PHE . 22.5 mt-10 -34.56 -38.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 t -144.65 178.31 8.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -77.52 83.22 3.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.0 tp -115.4 94.67 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -74.01 99.91 3.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.827 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -99.88 167.88 10.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.6 t -161.98 141.02 9.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.108 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 11.4 ptp85 -138.54 170.08 16.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 16.2 m -111.41 133.31 21.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 111.106 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -173.95 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -122.77 162.43 22.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 90.0 t -130.23 146.47 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.18 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.1 m -129.12 177.73 6.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -123.85 169.36 15.98 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.426 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 173.71 10.59 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 131' ' ' SER . 47.3 m -115.9 -57.74 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.863 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 130' ' ' SER . 3.0 t -36.31 145.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -110.07 173.99 6.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.873 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -138.86 111.26 7.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.14 -179.84 16.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 6' ' ' SER . 37.0 p -89.18 -55.61 3.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 110.838 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 5' ' ' SER . 2.8 t 37.73 42.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.67 -167.67 13.68 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -110.75 41.86 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 10' ' ' ALA . 87.9 t -72.19 99.58 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 9' ' ' VAL . . . -35.19 122.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.518 HG22 ' N ' ' A' ' 12' ' ' ARG . 11.0 p -138.5 161.65 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.518 ' N ' HG22 ' A' ' 11' ' ' VAL . 30.2 mmt180 -103.99 -65.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.2 p -100.48 163.64 12.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.3 mt -98.59 90.12 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.1 p -162.03 177.65 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.16 65.33 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.23 161.47 29.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 137.26 34.92 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 t -117.5 35.97 4.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -131.65 135.74 47.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.667 ' HB1' ' HD2' ' A' ' 22' ' ' PRO . . . -119.87 162.78 31.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.712 . . . . 0.0 111.113 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.667 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.72 130.07 18.74 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.746 2.297 . . . . 0.0 112.309 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -99.11 -175.18 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 53.93 41.83 31.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.3 141.45 58.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 m -155.65 156.97 35.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.456 HD23 HG23 ' A' ' 37' ' ' ILE . 12.9 mt -131.98 102.01 5.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -89.98 76.65 7.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.9 t -48.62 99.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.474 ' CG ' ' HB2' ' A' ' 36' ' ' MET . 14.1 mmm180 -68.06 -49.4 61.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.45 ' OD1' ' C ' ' A' ' 30' ' ' ARG . 4.3 m-20 -134.21 -175.44 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.506 ' O ' HG21 ' A' ' 113' ' ' THR . 86.3 p -78.67 -23.27 45.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.533 ' O ' HD12 ' A' ' 84' ' ' LEU . 5.3 ptpp? -106.79 -19.58 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 p -115.59 148.05 40.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.5 mt -139.32 126.09 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.506 ' HE3' ' C ' ' A' ' 79' ' ' GLN . 5.6 tpt -90.57 136.32 33.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.518 ' CD1' HG21 ' A' ' 56' ' ' ILE . 6.4 mt -112.0 128.6 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -124.61 119.13 28.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.431 ' CH2' HD11 ' A' ' 56' ' ' ILE . 36.1 p90 -137.85 166.38 24.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -119.86 150.2 50.19 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.579 0.704 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 144.94 55.33 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 171.42 14.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.41 149.42 20.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.565 0.697 . . . . 0.0 111.14 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -23.86 30.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.71 -36.08 29.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 47' ' ' GLN . 49.1 p -81.49 -35.61 30.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 46' ' ' THR . 19.9 mt-30 -28.98 -42.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 46' ' ' THR . 25.3 t-20 63.78 35.59 11.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 129.16 -179.64 16.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -83.72 139.33 32.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.609 HG21 ' CE1' ' A' ' 54' ' ' TYR . 46.2 mt -87.13 142.83 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.6 p -110.16 -41.98 4.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.455 ' C ' HD12 ' A' ' 97' ' ' LEU . . . -165.01 168.29 39.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.501 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.609 ' CE1' HG21 ' A' ' 51' ' ' ILE . 2.2 m-85 -118.52 137.27 53.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.93 0.395 . . . . 0.0 110.939 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -99.73 94.21 6.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.518 HG21 ' CD1' ' A' ' 37' ' ' ILE . 59.9 mt -87.44 120.45 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -118.59 148.78 42.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.578 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 33.0 p90 -150.5 148.63 28.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.658 ' HB3' HG22 ' A' ' 67' ' ' VAL . 27.3 ptt180 -141.24 -179.8 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -94.97 142.5 27.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.403 ' HB3' ' HB3' ' A' ' 89' ' ' GLU . . . -75.64 -12.01 60.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.05 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.2 t -97.53 -45.89 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -85.78 -44.77 12.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? 49.03 32.83 4.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 m -133.41 -34.15 1.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -91.38 111.87 23.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.658 HG22 ' HB3' ' A' ' 59' ' ' ARG . 9.0 t -120.73 145.7 26.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.51 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 35.3 m -119.79 136.12 54.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -91.11 141.26 29.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.6 m -134.97 114.85 12.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.493 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -101.44 129.43 47.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.493 ' N ' HD13 ' A' ' 71' ' ' LEU . 26.9 m -121.45 -177.9 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m -82.36 148.01 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.94 -42.04 78.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.4 t -88.81 29.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.32 . . . . 0.0 111.129 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -117.65 112.42 20.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.8 mt -103.5 31.34 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 99.5 p -156.77 150.6 24.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.506 ' C ' ' HE3' ' A' ' 36' ' ' MET . 37.7 tp60 -152.51 136.1 16.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.409 ' N ' ' HE3' ' A' ' 36' ' ' MET . 55.4 tp -111.62 111.05 21.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.0 mm -95.18 119.29 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -110.41 160.95 16.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.57 48.77 2.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 33' ' ' LYS . 4.4 mt -123.44 165.94 16.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -103.81 155.34 18.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.8 ptt85 -79.66 159.52 26.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 49.53 53.59 20.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.0 m -153.35 129.36 10.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.733 0.301 . . . . 0.0 111.145 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 3.3 tp10 -73.34 142.83 47.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -142.45 136.43 29.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.42 146.63 25.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 52.8 m-85 -140.75 148.94 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -143.92 141.46 30.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.637 HG12 ' HG3' ' A' ' 22' ' ' PRO . 90.6 t -115.03 127.48 72.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.4 ' HB2' ' HB2' ' A' ' 105' ' ' ALA . . . -124.79 149.8 46.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.7 150.23 22.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 102' ' ' THR . 6.3 mt -130.11 137.21 50.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.1 p -136.6 171.6 14.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 100' ' ' ASN . 9.7 tt -49.19 -41.61 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.43 ' N ' HG23 ' A' ' 99' ' ' ILE . 48.0 m-20 -58.89 -25.66 63.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.8 -145.66 17.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.548 ' HA ' HD23 ' A' ' 97' ' ' LEU . 15.2 p -78.59 160.22 27.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 0.0 111.153 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -125.18 -166.92 12.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.431 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 54.0 Cg_endo -69.7 162.29 42.61 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.379 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.4 ' HB2' ' HB2' ' A' ' 95' ' ' ALA . . . -129.5 133.2 47.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 65.6 p -57.06 165.78 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -62.61 172.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -86.64 96.16 10.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 tp -87.92 113.75 23.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 72.9 m -80.35 145.21 32.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.404 ' HB2' HD13 ' A' ' 27' ' ' LEU . . . -143.13 129.98 20.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -104.5 116.75 32.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.506 HG21 ' O ' ' A' ' 32' ' ' SER . 5.6 p -62.91 171.11 2.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.145 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -87.84 121.9 30.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -40.08 -35.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.36 -179.38 4.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.39 47.12 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 120' ' ' GLU . 2.4 tt -82.1 90.71 6.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -71.64 86.12 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.457 ' HB3' ' CD2' ' A' ' 118' ' ' LEU . 22.8 tt0 -173.54 123.79 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.9 t -133.72 38.07 3.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 44.1 ptt85 38.44 47.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.561 HG13 ' HD2' ' A' ' 124' ' ' PRO . 95.6 t -41.34 136.14 1.81 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 0.0 111.1 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.561 ' HD2' HG13 ' A' ' 123' ' ' VAL . 54.0 Cg_endo -69.76 177.04 5.98 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -142.14 105.25 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 97.8 t -138.13 148.14 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.6 t -163.82 131.5 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.84 64.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 87.54 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.718 2.279 . . . . 0.0 112.349 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.2 t -52.92 -53.16 53.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.2 m -48.04 150.2 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.542 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.436 -0.265 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -169.82 145.07 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -170.99 172.13 5.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.05 170.86 26.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -166.76 155.07 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.952 0.406 . . . . 0.0 110.844 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -141.0 161.45 37.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.63 150.83 8.22 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -174.3 158.01 2.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.9 t -135.34 132.0 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.44 78.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.2 t -131.5 100.03 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 13' ' ' THR . 33.8 ptt180 -125.48 -40.8 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 12' ' ' ARG . 20.4 m -35.79 137.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -161.95 151.88 16.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -173.54 161.4 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -53.03 -52.16 59.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -55.61 154.07 13.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 111.137 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.11 56.26 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -123.08 41.34 3.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' HB2' ' HB ' ' A' ' 46' ' ' THR . . . -142.19 129.57 21.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.512 ' HB2' ' HB2' ' A' ' 104' ' ' PRO . . . -105.29 157.46 34.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.702 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.9 Cg_endo -69.84 133.32 25.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.64 2.227 . . . . 0.0 112.36 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -102.06 -177.2 3.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 54.34 42.74 31.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.64 HD23 HD22 ' A' ' 109' ' ' LEU . 38.5 tp -72.14 158.42 35.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.418 ' N ' ' HG ' ' A' ' 25' ' ' LEU . 3.6 m -173.73 156.66 2.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.618 HD23 HG23 ' A' ' 37' ' ' ILE . 36.5 mt -130.16 96.35 4.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.6 93.33 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.01 93.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 30' ' ' ARG . 1.8 mmp_? -67.18 -46.71 73.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -139.73 -177.45 4.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.413 ' O ' HG21 ' A' ' 113' ' ' THR . 75.1 p -75.59 -27.52 58.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -112.37 18.39 18.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 p -148.32 139.18 23.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.478 HD11 HG23 ' A' ' 113' ' ' THR . 96.7 mt -142.26 116.41 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.8 tpp -87.29 131.81 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.763 ' CD1' HG21 ' A' ' 56' ' ' ILE . 6.4 mt -102.61 132.1 49.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -124.69 115.43 20.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.78 ' CH2' HD11 ' A' ' 56' ' ' ILE . 42.6 p90 -130.17 164.55 24.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -124.66 154.16 70.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.6 0.714 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 144.45 53.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.643 2.229 . . . . 0.0 112.317 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.412 ' HG2' ' NE2' ' A' ' 47' ' ' GLN . 53.5 Cg_endo -69.81 169.36 19.16 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.84 152.97 45.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -43.46 2.61 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.299 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.51 -53.05 33.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.42 ' HB ' ' HB2' ' A' ' 20' ' ' ALA . 10.1 p -63.13 -52.1 63.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.412 ' NE2' ' HG2' ' A' ' 42' ' ' PRO . 53.7 mt-30 -50.77 116.97 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.89 51.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.5 -168.68 41.2 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -110.06 132.04 54.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.46 HD13 ' OH ' ' A' ' 54' ' ' TYR . 96.7 mt -86.65 139.37 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.4 p -118.94 -33.45 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -169.65 175.84 43.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.46 ' OH ' HD13 ' A' ' 51' ' ' ILE . 62.2 m-85 -128.28 140.8 51.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.899 0.38 . . . . 0.0 110.974 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.91 ' HD2' HD21 ' A' ' 97' ' ' LEU . 18.0 mttp -103.63 116.12 31.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.78 HD11 ' CH2' ' A' ' 39' ' ' TRP . 30.8 mt -109.44 99.15 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.44 ' NH1' ' HB2' ' A' ' 57' ' ' ARG . 10.0 mtm105 -100.99 140.1 35.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.491 ' O ' HG13 ' A' ' 67' ' ' VAL . 32.2 p90 -142.05 166.32 25.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -150.57 178.66 8.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -101.47 121.81 42.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.63 -39.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.3 m -62.4 -57.87 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 8.5 ptm180 -118.11 98.56 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -69.13 -4.12 16.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -77.29 -36.22 54.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -80.51 102.22 9.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 58' ' ' TYR . 2.4 t -125.0 146.48 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.3 m -124.61 146.19 49.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -102.55 146.81 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 93.5 m -140.07 111.71 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.708 HD13 ' N ' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -96.05 133.79 39.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.708 ' N ' HD13 ' A' ' 71' ' ' LEU . 27.7 m -123.79 178.02 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.5 m -81.81 149.62 28.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.65 -36.45 59.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.7 t -94.67 23.48 5.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.752 0.31 . . . . 0.0 111.143 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -111.8 108.9 18.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.6 mt -104.04 31.04 4.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.4 p -159.42 151.48 20.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -159.03 135.41 9.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.2 tp -102.83 118.96 37.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.6 mm -104.21 98.35 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -96.38 166.9 11.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.47 37.92 7.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mt -109.07 176.14 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 0.0 110.92 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -104.75 154.54 19.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 87' ' ' GLY . 11.4 ptt180 -81.93 168.02 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' ARG . . . 35.41 52.17 1.0 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.1 m -148.54 135.68 20.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 0.0 111.147 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.39 143.6 40.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.532 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . 44.0 m-85 -135.81 138.79 42.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.511 ' HB3' ' CE3' ' A' ' 108' ' ' TRP . 1.3 m-80 -103.41 132.12 49.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 90' ' ' TYR . 69.7 m-85 -132.57 152.83 51.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.57 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 14.0 ptm180 -154.93 128.01 8.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.695 HG22 HG12 ' A' ' 56' ' ' ILE . 49.0 t -102.93 139.15 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.08 137.54 41.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.04 150.82 25.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.91 HD21 ' HD2' ' A' ' 55' ' ' LYS . 8.1 mt -127.64 144.38 51.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.9 p -141.51 174.04 10.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 tp -59.09 -30.5 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -66.88 -16.6 64.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.95 -139.01 10.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.461 ' HA ' HD23 ' A' ' 97' ' ' LEU . 24.0 p -86.53 163.11 17.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 111.149 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -126.81 -174.99 13.96 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.512 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 53.7 Cg_endo -69.76 166.5 27.39 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.29 165.49 18.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.08 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.481 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 70.9 p -89.2 133.8 34.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.1 OUTLIER -36.91 144.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.57 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 42.6 m95 -55.63 103.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.64 HD22 HD23 ' A' ' 25' ' ' LEU . 9.6 tp -95.58 113.18 24.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 56.8 m -87.08 143.16 27.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.3 130.73 21.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -100.37 120.75 40.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.478 HG23 HD11 ' A' ' 35' ' ' ILE . 1.4 p -70.72 169.62 14.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -84.77 119.06 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -39.64 -34.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m -144.72 177.04 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -98.2 111.52 23.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.2 tp -134.81 111.09 9.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -83.93 97.1 9.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -138.66 117.19 12.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 24.4 p -128.85 160.14 33.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.6 ptt85 -166.54 129.58 1.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.34 141.16 35.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.619 0.723 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 179.09 3.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -130.1 125.28 34.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 33.4 m -80.37 172.56 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 m -105.6 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -117.05 154.79 16.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -174.39 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.372 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.6 m -120.17 -33.71 3.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 37.1 m 43.15 48.09 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 t -131.14 80.71 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 110.876 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -164.16 148.2 9.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.35 132.93 3.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -116.24 108.1 15.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.906 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' GLY . 51.9 p -110.86 -63.46 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.23 -114.3 0.2 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -52.2 179.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.813 0.34 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.8 p -47.87 143.22 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.25 164.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.3 t -98.93 139.83 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.43 ' N ' ' HD2' ' A' ' 12' ' ' ARG . 1.6 mpt_? -99.21 166.55 11.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m -93.26 32.47 1.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 15' ' ' SER . 1.0 OUTLIER -113.19 118.06 33.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.462 ' N ' HD12 ' A' ' 14' ' ' LEU . 25.9 p -107.52 135.32 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -39.98 -58.45 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.8 m -47.19 151.5 1.23 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.629 0.728 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 153.34 68.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.647 2.232 . . . . 0.0 112.318 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 t -127.29 35.85 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 104' ' ' PRO . . . -114.28 124.93 53.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.6 149.79 37.06 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HG2' ' CG2' ' A' ' 106' ' ' THR . 53.7 Cg_endo -69.7 135.51 30.79 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.333 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -102.49 175.65 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 58.77 43.22 18.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.3 tp -73.14 146.34 45.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -164.26 162.32 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.625 HD23 HG23 ' A' ' 37' ' ' ILE . 8.0 mt -134.96 103.61 5.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -84.48 93.06 8.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.473 HG12 ' CE2' ' A' ' 114' ' ' PHE . 93.2 t -58.38 94.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -70.21 -42.15 72.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -146.03 161.75 39.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.3 m -62.64 -14.34 42.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.54 -11.48 11.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 p -126.44 138.67 53.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.516 HD12 HD13 ' A' ' 84' ' ' LEU . 87.9 mt -134.13 114.67 19.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.9 tpp -83.59 142.29 30.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.625 HG23 HD23 ' A' ' 27' ' ' LEU . 16.2 mt -111.85 137.21 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -129.22 117.52 20.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.789 ' CH2' HD11 ' A' ' 56' ' ' ILE . 41.3 p90 -134.97 167.27 21.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -125.92 151.45 71.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 143.73 51.95 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.256 . . . . 0.0 112.398 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 171.06 15.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.54 152.24 26.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.576 0.703 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -40.05 5.76 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.43 -48.01 77.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 47' ' ' GLN . 70.4 p -61.98 -55.23 31.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 46' ' ' THR . 61.1 mt-30 -35.3 134.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -109.96 34.96 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 152.27 -139.53 7.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -120.64 134.24 55.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.446 ' HA ' HG22 ' A' ' 98' ' ' THR . 75.2 mt -78.08 137.23 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.9 p -109.03 -29.41 8.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.68 161.21 29.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.469 ' O ' HD23 ' A' ' 71' ' ' LEU . 96.2 m-85 -109.44 138.48 45.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.953 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.451 ' HB2' HD11 ' A' ' 97' ' ' LEU . 16.7 tttm -96.0 99.41 11.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.789 HD11 ' CH2' ' A' ' 39' ' ' TRP . 74.0 mt -93.12 113.66 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -118.72 133.94 55.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.548 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . 32.2 p90 -132.66 146.52 51.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.46 ' NH2' ' CD1' ' A' ' 108' ' ' TRP . 24.2 ptt180 -135.93 174.29 10.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -93.23 136.23 33.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.38 -47.96 80.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 m -69.44 -44.47 71.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -118.6 68.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -45.21 -42.14 8.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t -44.54 -35.86 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -77.5 97.41 5.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.5 p -129.08 141.38 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.515 ' HB ' ' CZ ' ' A' ' 58' ' ' TYR . 88.3 m -118.68 142.89 47.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.493 ' OE2' ' N ' ' A' ' 70' ' ' THR . 3.4 tm-20 -90.04 142.47 27.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.558 HG21 HD11 ' A' ' 81' ' ' ILE . 47.2 m -146.6 107.95 4.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.629 HD21 ' CD1' ' A' ' 97' ' ' LEU . 10.3 mt -96.32 163.27 13.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.1 m -146.15 -175.61 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 m -80.57 151.95 28.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.69 -29.37 74.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.1 t -91.85 -6.0 52.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.736 0.303 . . . . 0.0 111.147 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.458 ' NE2' ' OE1' ' A' ' 79' ' ' GLN . 21.2 tt0 -88.84 116.07 26.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.6 mt -101.75 21.61 14.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.407 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 92.5 p -149.26 161.58 41.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.458 ' OE1' ' NE2' ' A' ' 76' ' ' GLN . 27.3 tp60 -160.96 125.05 3.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.7 tp -98.29 110.82 23.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.558 HD11 HG21 ' A' ' 70' ' ' THR . 15.9 mm -96.01 108.9 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -103.76 158.88 16.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.33 48.49 1.85 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.516 HD13 HD12 ' A' ' 35' ' ' ILE . 6.6 mt -120.74 171.98 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.31 147.86 30.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -70.96 159.66 34.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 45.4 55.59 6.74 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.2 m -152.0 118.7 5.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.791 0.329 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.09 135.04 53.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -130.7 148.98 52.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.466 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 1.2 m-80 -112.11 150.35 30.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.548 ' CD2' ' HB3' ' A' ' 58' ' ' TYR . 16.9 m-85 -144.07 150.75 38.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.51 ' HD2' ' CH2' ' A' ' 108' ' ' TRP . 10.1 ptm180 -141.74 129.06 21.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 106' ' ' THR . 47.2 t -109.57 127.62 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.49 147.3 52.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.51 141.23 28.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.629 ' CD1' HD21 ' A' ' 71' ' ' LEU . 8.4 mt -122.28 134.61 54.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.446 HG22 ' HA ' ' A' ' 51' ' ' ILE . 50.4 p -131.2 174.56 9.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.9 tp -53.46 -35.23 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -58.8 -22.53 58.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 141.63 -103.49 0.34 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.414 ' HA ' HD23 ' A' ' 97' ' ' LEU . 41.2 p -123.21 170.97 9.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 111.141 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.68 -172.76 13.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.442 ' HG3' ' N ' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.77 163.83 36.81 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.471 ' HB1' ' HE ' ' A' ' 93' ' ' ARG . . . -123.17 149.93 43.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.475 ' CG2' ' HG2' ' A' ' 22' ' ' PRO . 80.5 p -78.36 152.91 32.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -46.27 168.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.51 ' CH2' ' HD2' ' A' ' 93' ' ' ARG . 25.4 m95 -82.33 97.73 8.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 109' ' ' LEU . 10.3 tp -87.48 117.5 26.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 p -98.04 130.38 44.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -128.16 139.02 52.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.078 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -101.6 126.56 48.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.423 HG23 HD11 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -73.66 163.73 27.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.473 ' CE2' HG12 ' A' ' 29' ' ' VAL . 49.2 m-85 -75.26 122.97 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -47.19 -22.07 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.4 m -140.01 140.18 36.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 118' ' ' LEU . 0.9 OUTLIER -47.03 -43.97 20.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 117' ' ' ASP . 4.2 tp -35.42 113.54 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.16 163.17 28.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -107.26 172.88 6.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.8 t -99.98 146.68 26.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -156.59 127.3 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 123' ' ' VAL . 12.9 m -96.3 104.0 15.86 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 123' ' ' VAL . 53.8 Cg_endo -69.75 143.48 51.03 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.357 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -150.04 117.04 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.7 p -145.1 138.5 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.3 m -147.46 130.73 16.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 170.34 114.64 0.32 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.509 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 171.5 14.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.391 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.0 t -139.77 172.85 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 t -156.08 176.22 12.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.504 -179.988 . . . . . . . . 0 0 . 1 stop_ save_