data_2cue_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 2cue _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 ' 15' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.711 0.291 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -46.8 -36.68 7.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.23 -34.25 77.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.468 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 95.7 mt-30 -85.01 -34.65 22.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 64.8 mt -64.9 -45.95 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.169 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -50.88 -43.32 59.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.469 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -76.11 -31.45 58.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mt -73.89 -28.17 61.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -80.5 -35.28 34.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -67.07 -31.95 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -81.63 -24.28 36.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 5.2 t80 -80.35 -40.98 25.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -56.76 -24.56 50.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -94.08 -51.14 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -136.06 126.06 26.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -77.55 -13.44 59.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -134.19 80.6 52.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.687 0.756 . . . . 0.0 110.95 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.516 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.6 Cg_endo -69.69 107.93 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -52.41 179.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.7 p -57.69 -34.54 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -67.06 -21.36 65.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.43 -50.55 5.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.446 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 35.6 mtm-85 -60.11 -37.5 80.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -67.54 -55.64 12.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.3 mtt-85 -55.34 -42.55 74.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 tp -69.41 -36.91 77.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.58 -37.74 5.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.53 -18.76 24.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -73.22 -30.78 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 21' ' ' ALA . 3.7 pt -123.0 5.02 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.48 52.98 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 44' ' ' ILE . 18.5 mt -130.69 149.08 72.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.681 0.753 . . . . 0.0 110.839 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.465 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.4 Cg_endo -69.76 134.65 28.5 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -46.23 -21.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 47' ' ' PRO . . . -77.45 -40.62 42.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.465 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 11.6 mmt-85 -60.73 -52.44 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.8 mt -47.11 -47.77 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.446 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.2 mt-30 -50.67 -46.35 58.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.93 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.558 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 68.9 t90 -43.0 -43.25 4.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.516 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.9 m-85 -70.58 -36.16 73.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.8 t -59.98 -58.2 9.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -56.26 -36.23 68.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 17.2 mmt-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.0 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.817 0.341 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -49.01 -38.72 24.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.68 -30.4 68.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -90.09 -43.71 10.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.6 mt -54.31 -37.63 37.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 8.8 pt-20 -63.15 -40.53 97.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.458 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -77.59 -28.16 51.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 mt -79.26 -32.39 43.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -72.87 -43.56 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -60.22 -38.56 83.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -68.56 -30.68 69.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.557 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 5.1 t80 -73.05 -45.46 57.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.77 -34.45 39.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -83.78 -43.64 15.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.1 t -149.34 126.13 11.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.47 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 17.5 m170 -75.84 -14.5 60.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -130.78 80.64 69.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.665 0.745 . . . . 0.0 110.957 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.3 Cg_endo -69.73 102.72 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -51.52 179.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 p -55.98 -35.98 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -66.44 -18.8 65.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.74 -52.93 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.443 ' HG2' ' CG2' ' A' ' 51' ' ' ILE . 63.0 mtm-85 -59.2 -36.54 75.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -65.76 -53.47 40.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -59.48 -41.79 90.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.462 ' CD1' ' HE2' ' A' ' 43' ' ' LYS . 1.7 tp -69.81 -41.91 74.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.12 -37.33 4.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.89 -15.33 28.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.462 ' HE2' ' CD1' ' A' ' 40' ' ' LEU . 22.7 ttpt -76.89 -33.04 57.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.458 ' CG2' ' HB3' ' A' ' 21' ' ' ALA . 2.0 pt -119.02 0.32 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 66.24 49.44 1.49 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 44' ' ' ILE . 27.1 mt -127.57 147.76 63.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.468 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.79 135.16 29.68 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.73 2.287 . . . . 0.0 112.347 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -45.61 -25.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.88 -41.52 64.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.468 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.7 mmt-85 -60.28 -54.76 41.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.443 ' CG2' ' HG2' ' A' ' 37' ' ' ARG . 37.0 mt -44.1 -46.89 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.435 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.6 mt-30 -51.71 -41.23 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.4 t -70.82 -59.71 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.565 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 22.6 t90 -46.35 -27.1 0.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.457 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.9 m-85 -88.64 -37.51 15.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.7 t -60.06 -37.0 78.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -71.63 -42.87 67.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.565 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 12.3 mmm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.8 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.746 0.308 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.33 -33.28 28.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -65.89 -27.78 68.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.441 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 84.0 mt-30 -92.76 -41.57 10.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.4 mt -56.54 -37.84 53.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.7 -45.88 88.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.465 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . . . -75.96 -33.32 59.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.428 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 14.3 mt -70.54 -25.19 62.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -83.15 -49.29 9.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -54.7 -41.71 70.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.494 ' OE2' ' CG2' ' A' ' 29' ' ' THR . 10.6 tp10 -63.05 -31.1 72.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.527 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 3.4 t80 -72.81 -43.04 63.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -54.73 -30.36 55.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -88.13 -44.59 10.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.494 ' CG2' ' OE2' ' A' ' 25' ' ' GLU . 6.7 t -146.68 125.13 12.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.407 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 18.8 m170 -75.34 -15.89 60.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -134.04 80.96 52.61 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.662 0.744 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 106.08 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -52.31 178.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.2 p -55.48 -39.13 52.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -63.54 -21.93 66.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.02 -49.63 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.467 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 50.2 mtm-85 -59.48 -36.33 75.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -67.13 -54.04 25.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -56.51 -43.05 79.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tp -69.4 -36.93 77.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.69 -37.0 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.03 -16.7 26.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -73.92 -28.32 61.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.465 ' CG2' ' HB2' ' A' ' 21' ' ' ALA . 3.4 pt -124.77 0.68 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 t70 64.24 50.22 2.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 44' ' ' ILE . 17.3 mt -128.35 149.32 71.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.437 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.5 Cg_endo -69.86 138.35 37.28 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.614 2.21 . . . . 0.0 112.294 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -50.46 -18.58 0.68 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.86 -37.11 35.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.437 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.1 mmt-85 -65.44 -51.16 62.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.6 mt -46.09 -50.7 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.467 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.1 mt-30 -49.6 -46.46 49.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.004 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.73 -61.37 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.555 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 58.9 t90 -42.41 -45.38 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -68.47 -41.01 80.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.9 t -53.85 -44.78 70.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -64.7 -38.01 89.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 10.5 mmm180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.712 0.291 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -49.02 -21.01 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -80.71 -32.02 35.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 83.8 mt-30 -88.86 -33.9 17.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.9 mt -63.8 -30.42 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.68 -43.54 75.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . . . -74.25 -33.44 63.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.0 mt -71.75 -30.21 65.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.37 -38.43 50.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -65.88 -46.52 78.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.17 -36.17 76.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.506 ' CE1' ' CD2' ' A' ' 30' ' ' HIS . 4.3 t80 -63.93 -50.69 67.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -47.85 -40.49 21.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -75.47 -39.45 58.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 t -152.94 122.42 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.506 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 24.4 m170 -71.63 -15.04 62.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -133.4 80.63 57.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.719 0.771 . . . . 0.0 110.991 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.421 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.6 Cg_endo -69.66 103.04 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -54.92 -179.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.9 p -51.93 -42.46 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.86 -19.92 60.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.57 -48.35 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.451 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 36.2 mtm-85 -65.11 -32.34 73.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -68.93 -53.48 20.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -61.8 -46.22 90.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' LYS . 3.3 tp -65.12 -42.11 94.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.16 -33.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.05 -19.61 22.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 40' ' ' LEU . 42.1 tttt -75.27 -24.97 57.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.463 ' CG2' ' HA ' ' A' ' 18' ' ' GLN . 4.1 pt -125.44 0.53 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.53 47.91 3.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.452 HD11 ' CD1' ' A' ' 44' ' ' ILE . 23.1 mt -126.28 147.02 58.27 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.588 0.709 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.463 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.8 Cg_endo -69.76 134.75 28.74 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.349 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -46.44 -21.93 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.33 -38.19 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.463 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 8.6 mmt180 -63.52 -56.86 12.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.8 mt -42.18 -45.68 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.198 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.451 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 5.2 mt-30 -50.37 -43.38 54.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 56' ' ' SER . 15.3 t -71.52 -65.71 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.557 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 47.8 t90 -38.8 -31.08 0.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.421 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.3 m-85 -85.21 -38.15 19.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 53' ' ' VAL . 5.1 t -56.89 -43.7 81.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -69.05 -37.61 78.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.557 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 11.7 mmt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.749 0.309 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -50.51 -31.97 16.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.87 -28.71 68.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.417 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 92.7 mt-30 -91.33 -39.3 12.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.5 mt -58.9 -36.12 59.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 9.8 pt-20 -62.18 -43.4 98.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.455 ' N ' ' HG3' ' A' ' 20' ' ' GLU . . . -78.23 -29.57 48.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.436 HD22 ' CD2' ' A' ' 40' ' ' LEU . 14.1 mt -75.53 -24.94 56.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -80.01 -42.81 23.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -59.8 -35.28 74.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -78.33 -21.26 49.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 9.9 t80 -84.08 -39.76 19.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -60.61 -17.02 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -100.84 -38.89 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 t -152.4 127.11 9.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -78.07 -14.94 59.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -127.69 80.15 72.41 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.737 0.779 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.493 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.9 Cg_endo -69.69 103.28 1.13 Allowed 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.782 2.321 . . . . 0.0 112.369 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.86 176.81 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 p -54.16 -34.4 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -68.03 -19.98 64.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.48 -51.96 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.432 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 23.6 mtm-85 -60.58 -36.06 77.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.47 -57.77 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -54.81 -47.38 74.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.436 ' CD2' HD22 ' A' ' 22' ' ' LEU . 2.2 tp -63.63 -42.63 98.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.36 -42.74 10.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.069 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.21 -16.77 45.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -78.67 -35.18 45.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 21' ' ' ALA . 2.3 pt -115.94 8.59 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.182 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 t0 57.43 43.26 23.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.442 HD13 ' CD1' ' A' ' 44' ' ' ILE . 16.7 mt -120.15 145.61 40.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.654 0.74 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.442 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.81 138.65 38.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -50.38 -18.64 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.07 -36.48 35.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.442 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 6.6 mmt-85 -66.67 -54.74 19.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.9 mt -43.75 -44.62 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.432 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.4 mt-30 -51.16 -48.57 61.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 56' ' ' SER . 23.9 t -65.19 -62.89 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.545 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 71.1 t90 -40.77 -37.63 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.493 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 9.0 m-85 -78.23 -37.55 45.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' VAL . 33.4 t -59.91 -46.95 87.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -69.32 -35.01 75.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.545 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 26.4 mmt-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.75 0.31 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -52.05 -30.48 25.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -66.75 -30.44 70.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.421 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 80.6 mt-30 -91.28 -43.05 10.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.1 mt -55.39 -37.86 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -59.02 -43.36 91.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . . . -77.95 -30.71 50.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.153 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.438 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 7.7 mt -74.07 -22.66 59.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -86.03 -40.47 15.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -60.07 -33.44 72.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -78.36 -25.54 46.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 7.2 t80 -79.37 -42.46 25.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -56.43 -22.73 33.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -96.87 -44.42 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -146.23 129.1 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.182 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -80.02 -14.09 58.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -130.6 80.62 69.68 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.717 0.77 . . . . 0.0 110.939 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.83 104.39 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.599 2.199 . . . . 0.0 112.37 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -48.74 176.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.65 -35.99 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -67.34 -18.43 65.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.92 -52.81 4.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.447 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 42.8 mtm-85 -58.62 -35.33 72.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -68.66 -57.39 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -54.16 -43.36 70.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tp -69.42 -37.11 77.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.33 -37.61 5.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.38 -17.01 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -72.23 -27.01 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.457 ' CG2' ' HB2' ' A' ' 21' ' ' ALA . 1.2 pt -126.15 -4.0 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.5 t0 70.78 44.85 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.9 mt -123.76 148.33 56.1 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.457 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.0 Cg_endo -69.7 138.57 38.33 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 8.2 tt0 -49.65 -18.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.73 -40.36 29.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.457 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 11.1 mmt85 -61.78 -52.76 62.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.802 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.1 mt -46.24 -48.37 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.447 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.0 mt-30 -49.12 -51.11 33.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.2 t -61.39 -60.58 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.547 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 60.8 t90 -43.83 -38.37 3.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -77.02 -33.86 57.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.8 t -64.44 -46.84 81.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -65.97 -43.21 88.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.547 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 41.9 mmt-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.1 p . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.715 0.293 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.39 -29.31 23.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.22 -29.53 67.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.422 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 93.0 mt-30 -90.86 -37.74 13.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.9 mt -62.14 -28.16 43.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -68.88 -40.73 79.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.53 -31.99 47.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.458 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 10.5 mt -73.39 -24.93 60.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -80.63 -44.14 19.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -61.37 -28.2 69.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -82.97 -24.92 32.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 11.8 t80 -85.53 -39.22 17.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.11 -26.29 66.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.56 -49.27 6.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.2 t -139.89 123.18 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -74.23 -12.84 60.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -126.18 80.65 68.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.679 0.752 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.551 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.71 95.13 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.95 174.53 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -54.23 -32.56 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -69.98 -17.92 63.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.45 -49.13 5.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.455 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 52.2 mtm-85 -64.33 -38.68 91.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.47 -53.72 38.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -61.53 -43.63 98.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tp -66.48 -38.25 86.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.85 -36.84 12.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.144 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.28 -16.75 30.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -76.32 -33.72 59.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.458 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 3.8 pt -118.51 6.83 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 57.17 51.03 10.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.0 mt -130.57 149.24 72.93 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.534 0.683 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.456 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.83 136.94 34.08 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.729 2.286 . . . . 0.0 112.36 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 8.0 tt0 -48.38 -19.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.71 -38.6 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.456 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.4 mmt85 -62.57 -53.27 57.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.0 mt -45.8 -49.4 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.455 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.5 mt-30 -47.99 -53.01 17.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.6 t -58.11 -58.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.529 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 56.6 t90 -47.28 -32.48 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.551 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 7.2 m-85 -81.06 -39.93 24.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.4 t -54.36 -54.67 37.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -59.54 -36.19 75.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.562 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 8.2 mmm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.793 0.33 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -31.08 33.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -67.76 -30.13 69.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.459 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 82.7 mt-30 -90.57 -38.43 13.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.7 mt -60.24 -32.36 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -65.45 -40.98 93.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.66 -29.67 36.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.557 HD11 ' CD1' ' A' ' 54' ' ' TRP . 10.5 mt -75.87 -25.13 55.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.68 -46.64 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -57.46 -43.12 83.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -64.42 -34.38 78.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 14.7 t80 -73.51 -45.35 54.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.4 -31.88 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -86.5 -45.32 11.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.833 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -144.05 124.83 14.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -75.58 -12.11 60.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.848 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -127.56 83.15 66.82 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.656 0.741 . . . . 0.0 110.913 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.558 ' HD3' ' CD2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.69 96.11 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.69 2.26 . . . . 0.0 112.388 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -51.64 177.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.0 p -53.41 -38.14 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -66.78 -21.77 66.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.08 -45.83 8.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.498 ' NH1' ' CD ' ' A' ' 52' ' ' GLN . 28.4 mtm180 -63.01 -43.7 98.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.27 -58.7 6.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -52.43 -44.97 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.404 ' CD2' HD23 ' A' ' 22' ' ' LEU . 1.8 tp -68.59 -39.63 80.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.72 -37.94 6.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.071 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.07 -20.34 22.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -69.93 -31.89 69.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.465 ' CD1' HD11 ' A' ' 46' ' ' LEU . 3.0 pt -120.77 -3.83 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 t0 68.55 44.84 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 44' ' ' ILE . 17.0 mt -122.05 149.32 53.84 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.57 0.7 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.468 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.76 135.66 31.03 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.658 2.239 . . . . 0.0 112.335 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 5.1 tt0 -46.0 -29.29 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.69 -39.94 80.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.468 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 8.1 mmt85 -63.0 -55.69 23.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.455 ' CG2' ' HG2' ' A' ' 37' ' ' ARG . 51.3 mt -41.0 -46.36 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.498 ' CD ' ' NH1' ' A' ' 37' ' ' ARG . 13.2 mt-30 -48.67 -59.12 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -53.19 -60.88 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.557 ' CD1' HD11 ' A' ' 22' ' ' LEU . 9.9 t90 -41.0 -43.56 2.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.558 ' CD2' ' HD3' ' A' ' 32' ' ' PRO . 12.3 m-85 -75.34 -38.18 60.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.5 t -57.71 -52.36 65.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -66.01 -35.82 81.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.525 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 21.4 tpt85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.2 p . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.789 0.328 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -48.49 -30.41 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -66.86 -32.28 73.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -90.5 -41.66 11.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.4 mt -55.13 -35.9 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -62.45 -44.42 96.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.63 -31.32 57.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 54' ' ' TRP . 12.2 mt -73.53 -23.61 60.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.484 ' CD ' ' NH2' ' A' ' 58' ' ' ARG . 11.7 mt-10 -83.99 -42.34 16.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -59.42 -36.63 76.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -76.05 -23.69 55.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 52.7 t80 -82.2 -41.07 20.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -60.4 -24.53 65.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -90.78 -40.44 11.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.8 t -150.97 122.17 7.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -71.32 -12.99 61.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -134.22 80.69 52.25 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.731 0.777 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.542 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.79 101.79 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.722 2.281 . . . . 0.0 112.353 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -46.78 173.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.7 p -53.82 -33.7 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -68.42 -17.92 64.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.08 -53.03 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.457 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 61.0 mtm-85 -56.76 -38.48 72.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -63.6 -57.32 10.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -54.13 -45.49 71.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.65 -38.38 86.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.17 -40.93 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.11 -15.08 34.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -75.0 -31.2 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.425 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 1.5 pt -122.67 2.97 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 t70 62.07 48.17 5.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.6 mt -126.46 149.71 68.42 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.588 0.709 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.458 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.5 Cg_endo -69.74 139.71 40.97 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.771 2.314 . . . . 0.0 112.283 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -51.92 -16.95 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.08 -33.34 29.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.458 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 14.4 mmt-85 -68.44 -51.79 39.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.458 HG22 ' CD1' ' A' ' 55' ' ' PHE . 24.0 mt -46.25 -50.88 4.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.457 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.3 mt-30 -46.7 -52.57 13.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.3 t -58.89 -55.39 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.46 ' CD1' HD12 ' A' ' 22' ' ' LEU . 12.5 t90 -49.76 -35.84 23.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.542 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.0 m-85 -77.14 -38.34 52.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.7 t -54.98 -57.88 9.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -61.51 -33.1 73.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.484 ' NH2' ' CD ' ' A' ' 23' ' ' GLU . 20.7 tpt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.7 p . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.758 0.313 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -48.83 -38.78 23.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -59.65 -30.7 68.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.447 ' NE2' ' HG ' ' A' ' 46' ' ' LEU . 92.1 mt-30 -89.28 -37.24 15.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.96 -36.06 69.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.88 -40.97 97.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' HB1' ' CG2' ' A' ' 44' ' ' ILE . . . -82.15 -26.7 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.047 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.3 mt -78.0 -25.29 47.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -79.56 -42.36 25.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -59.04 -44.31 91.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.76 -33.62 76.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 4.6 t80 -71.03 -44.98 64.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -52.48 -36.12 54.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -80.8 -46.59 15.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.5 t -145.36 125.17 13.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -72.26 -15.35 61.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -129.78 81.38 69.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.701 0.762 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.547 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.81 99.48 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -50.04 174.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.4 p -50.94 -39.24 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -61.68 -22.76 65.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.24 -49.78 5.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.471 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 52.8 mtm-85 -59.4 -38.43 80.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.98 -57.07 9.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.34 -44.17 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.824 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 44' ' ' ILE . 1.4 tp -67.99 -40.04 83.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.44 -34.93 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.03 -17.36 25.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 40' ' ' LEU . 13.9 ttpt -78.06 -34.57 50.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.464 HD11 ' CD2' ' A' ' 40' ' ' LEU . 5.1 pt -113.59 -3.3 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 t0 65.29 42.97 3.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' ' 44' ' ' ILE . 18.6 mt -122.38 150.28 57.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.61 0.719 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.459 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.2 Cg_endo -69.71 134.64 28.58 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -46.23 -23.42 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.58 -40.55 61.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.459 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.3 mmt180 -62.4 -54.33 41.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.1 mt -43.6 -47.04 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.471 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.4 mt-30 -50.64 -52.78 36.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.98 -60.66 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 62.8 t90 -42.48 -40.02 2.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.547 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.1 m-85 -74.51 -40.42 61.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.3 m -54.93 -56.72 16.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -56.99 -43.14 81.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 21.2 mmt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.739 0.304 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.11 -36.76 31.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -64.08 -29.06 70.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.462 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 87.7 mt-30 -90.51 -35.55 15.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.64 -27.1 42.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -71.28 -39.96 71.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -80.63 -28.23 37.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 10.2 mt -76.24 -26.78 56.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -79.78 -44.21 21.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -56.51 -38.45 71.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -70.77 -30.56 67.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -71.31 -47.57 55.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.72 -34.65 39.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -81.64 -47.26 13.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 t -145.06 125.34 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -73.94 -16.33 61.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.772 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -131.78 81.05 64.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.653 0.74 . . . . 0.0 110.959 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 105.41 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -52.7 -179.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.4 p -56.97 -35.08 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -67.12 -19.7 65.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.12 -51.21 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.435 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 48.2 mtm-85 -60.41 -31.96 70.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.67 -52.09 23.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -60.74 -42.83 98.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.824 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 tp -68.45 -40.52 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.36 -34.01 4.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.12 -17.07 25.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -74.94 -30.1 61.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.465 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 1.1 pt -122.05 1.1 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.1 t0 63.97 49.68 2.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.4 mt -127.3 150.21 71.86 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.606 0.717 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.454 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.67 138.7 38.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.401 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 5.6 tt0 -50.72 -17.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.7 -37.51 30.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.454 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 6.3 mmt-85 -62.45 -55.19 30.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' A' ' 55' ' ' PHE . 36.2 mt -45.02 -49.65 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.11 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.435 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.4 mt-30 -46.81 -49.24 20.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 56' ' ' SER . 41.7 t -63.03 -64.5 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.148 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.561 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 74.7 t90 -38.23 -44.43 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.997 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.409 ' CD1' HG22 ' A' ' 51' ' ' ILE . 12.1 m-85 -69.79 -42.43 73.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' VAL . 3.8 t -51.93 -52.47 49.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -62.19 -40.05 94.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.561 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 36.3 mmt-85 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.766 0.317 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -41.83 -41.05 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -55.96 -39.17 71.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' NE2' ' HG ' ' A' ' 46' ' ' LEU . 81.8 mt-30 -85.75 -34.42 21.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.62 -37.87 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 7.3 pt-20 -61.97 -40.58 96.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.443 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . . . -79.78 -30.05 40.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.559 HD13 ' CD1' ' A' ' 54' ' ' TRP . 10.3 mt -74.96 -27.08 60.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -81.84 -44.49 16.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -58.91 -47.72 84.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.1 -33.24 64.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE1' ' CD2' ' A' ' 30' ' ' HIS . 7.5 t80 -72.25 -42.32 65.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -53.18 -29.67 33.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -89.68 -44.77 9.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.1 t -145.22 123.24 12.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.567 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 22.9 m170 -73.47 -12.98 60.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -134.34 80.95 50.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.718 0.771 . . . . 0.0 110.907 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 100.36 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.653 2.235 . . . . 0.0 112.422 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -48.89 175.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.8 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.1 p -52.76 -38.32 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -63.5 -22.36 66.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.46 -51.27 5.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.464 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 53.7 mtm-85 -60.35 -34.88 74.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.12 -55.61 15.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -57.37 -45.76 84.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' CD2' HD11 ' A' ' 44' ' ' ILE . 2.4 tp -64.9 -38.45 91.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.45 -35.91 13.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.52 -15.78 32.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -80.52 -40.9 25.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.463 ' CD1' HD11 ' A' ' 46' ' ' LEU . 11.8 pt -107.74 8.08 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 54.52 50.59 15.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 44' ' ' ILE . 17.1 mt -131.59 149.83 74.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.427 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.3 Cg_endo -69.75 139.76 41.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.238 . . . . 0.0 112.354 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -50.8 -18.12 0.68 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.46 -38.61 29.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.427 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.0 mmt180 -62.86 -53.48 53.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.5 mt -45.44 -48.4 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.192 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.464 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.7 mt-30 -48.19 -50.98 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.923 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.2 t -60.53 -62.37 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.175 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.559 ' CD1' HD13 ' A' ' 22' ' ' LEU . 12.9 t90 -40.63 -42.35 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -73.56 -44.95 56.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.1 t -50.37 -51.31 47.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -69.2 -25.04 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.517 ' NH2' ' CE2' ' A' ' 54' ' ' TRP . 10.8 tpp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.3 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.74 0.305 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.14 -32.31 68.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.8 -26.88 66.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 84.2 mt-30 -91.97 -38.56 12.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.4 mt -61.01 -32.98 54.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.12 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 7.9 pt-20 -64.79 -42.56 94.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.459 ' HB1' ' CG2' ' A' ' 44' ' ' ILE . . . -78.71 -31.11 46.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.47 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 12.2 mt -75.22 -24.29 57.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -81.95 -44.32 16.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -58.94 -47.51 84.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -60.43 -36.21 77.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.558 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 14.8 t80 -68.94 -42.26 76.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.87 -31.43 59.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -87.58 -45.0 10.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.4 t -145.68 125.36 13.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -76.5 -13.66 60.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -125.73 82.59 63.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.684 0.754 . . . . 0.0 110.957 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.416 ' HD3' ' CD2' ' A' ' 55' ' ' PHE . 54.0 Cg_endo -69.77 98.86 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.66 2.24 . . . . 0.0 112.33 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -54.57 176.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -51.42 -38.95 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -66.97 -21.43 65.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.07 -46.29 7.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.501 ' NH1' ' CD ' ' A' ' 52' ' ' GLN . 33.3 mtm180 -62.26 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -61.55 -59.28 5.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -51.79 -46.62 64.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 tp -65.85 -41.9 91.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.76 -37.91 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.25 -18.15 30.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -76.94 -34.86 57.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.471 ' CD1' HD13 ' A' ' 46' ' ' LEU . 4.8 pt -116.59 5.05 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.185 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 t70 56.37 54.11 7.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 44' ' ' ILE . 18.0 mt -131.57 149.64 74.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.731 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.469 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.0 Cg_endo -69.75 135.02 29.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.45 ' OE2' ' NH2' ' A' ' 37' ' ' ARG . 8.7 tt0 -44.93 -28.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.45 -38.9 78.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.469 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.3 mmt180 -64.28 -54.95 25.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 37' ' ' ARG . 40.5 mt -40.95 -46.36 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.501 ' CD ' ' NH1' ' A' ' 37' ' ' ARG . 12.9 mt-30 -48.26 -59.79 3.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.2 t -52.62 -60.99 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.42 ' CH2' ' HD3' ' A' ' 58' ' ' ARG . 8.9 t90 -40.21 -44.18 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.416 ' CD2' ' HD3' ' A' ' 32' ' ' PRO . 12.4 m-85 -75.29 -37.81 60.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.6 t -55.37 -55.3 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -62.88 -40.22 96.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.558 ' HG2' ' CD2' ' A' ' 26' ' ' PHE . 7.5 tpt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.763 0.316 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -51.45 -29.91 17.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -69.01 -29.02 67.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.463 ' NE2' ' HG ' ' A' ' 46' ' ' LEU . 95.8 mt-30 -90.44 -37.07 14.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.2 mt -60.48 -33.97 56.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.06 -43.08 99.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.402 ' CB ' ' CG2' ' A' ' 44' ' ' ILE . . . -78.73 -31.91 46.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' ' 54' ' ' TRP . 13.8 mt -72.19 -22.76 61.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -83.29 -48.4 10.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -53.87 -48.49 69.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.423 ' OE2' ' CG2' ' A' ' 29' ' ' THR . 9.1 tp10 -57.5 -36.58 71.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.437 ' CE1' ' CD2' ' A' ' 30' ' ' HIS . 6.7 t80 -66.53 -44.49 82.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -52.35 -35.22 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -81.36 -47.06 13.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.423 ' CG2' ' OE2' ' A' ' 25' ' ' GLU . 4.2 t -144.1 121.65 11.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.437 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 23.8 m170 -70.4 -13.11 62.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -133.06 81.5 57.08 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.657 0.741 . . . . 0.0 110.872 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.558 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.8 Cg_endo -69.75 102.16 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -55.09 179.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.0 p -54.87 -37.45 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.5 -22.79 67.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.24 -52.21 4.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.449 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 54.0 mtm-85 -59.08 -38.86 80.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.89 -57.66 9.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -55.43 -43.94 75.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 43' ' ' LYS . 2.5 tp -67.22 -37.76 84.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.41 -38.76 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.09 -14.54 29.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 40' ' ' LEU . 31.5 tttp -77.81 -32.13 52.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.468 ' CD1' HD12 ' A' ' 46' ' ' LEU . 14.7 pt -118.51 -3.51 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 t70 66.88 52.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' A' ' 44' ' ' ILE . 18.2 mt -134.49 149.41 70.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.597 0.713 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.73 134.77 28.85 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -45.33 -26.97 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.69 -42.32 70.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.037 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.444 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 8.9 mmt85 -60.91 -55.35 34.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.1 mt -42.6 -45.46 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 6.2 mt-30 -51.42 -53.95 31.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.21 -59.67 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.456 ' CD1' HD12 ' A' ' 22' ' ' LEU . 16.5 t90 -43.14 -44.71 5.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.558 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.4 m-85 -70.51 -41.24 72.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.0 t -53.67 -57.78 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -57.41 -37.52 72.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.4 tpt85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.791 0.329 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -52.08 -30.29 25.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.45 -30.19 69.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.4 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 90.5 mt-30 -91.41 -40.54 11.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.7 mt -57.96 -35.1 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -62.02 -44.36 96.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.401 ' HB1' ' CG2' ' A' ' 44' ' ' ILE . . . -77.14 -32.88 56.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mt -71.91 -25.49 61.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -83.14 -43.98 15.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -59.0 -29.42 67.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -81.81 -24.5 35.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -81.84 -37.7 26.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -62.53 -16.58 56.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.3 tpp85 -101.17 -41.68 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.1 t -147.98 128.38 13.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -78.03 -15.46 58.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -132.93 80.47 60.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.664 0.745 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.501 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.4 Cg_endo -69.79 106.7 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.299 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -48.18 176.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.2 p -57.82 -33.44 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -68.11 -17.83 64.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.33 -54.26 3.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 26.1 mtt-85 -57.43 -35.06 69.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.445 ' CG ' ' OE1' ' A' ' 48' ' ' GLU . 30.1 mt-10 -67.21 -55.1 15.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mmt-85 -57.73 -41.12 81.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 43' ' ' LYS . 2.8 tp -69.6 -47.48 63.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -41.66 -36.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.97 -22.33 21.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 40' ' ' LEU . 24.3 ttpt -72.05 -34.15 68.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.46 ' CD1' HD13 ' A' ' 46' ' ' LEU . 2.7 pt -112.4 -1.84 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.172 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.5 t0 70.62 35.4 1.88 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 20.2 mt -117.04 148.01 41.37 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.642 0.734 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.454 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.78 142.42 47.82 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.363 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.445 ' OE1' ' CG ' ' A' ' 38' ' ' GLU . 4.3 tt0 -54.63 -14.64 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.2 -31.57 23.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.454 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 11.3 mmt180 -70.41 -49.74 45.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.7 mt -48.13 -54.56 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.47 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.8 mt-30 -43.0 -43.88 4.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.71 -60.15 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 41.6 t90 -44.76 -29.9 0.86 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.501 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 9.2 m-85 -83.2 -39.99 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.5 t -55.48 -54.57 42.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -58.44 -37.3 75.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 10.2 mmt180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.9 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.77 0.319 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.47 -26.89 9.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -72.75 -29.97 63.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -89.87 -33.08 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.3 mt -63.36 -40.12 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.09 -45.23 83.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . . . -73.55 -30.65 63.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.069 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.8 mt -74.69 -33.32 62.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -75.52 -47.64 26.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -56.35 -39.61 73.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.966 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -69.76 -30.49 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -73.86 -40.8 62.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -57.18 -30.09 64.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -87.39 -48.71 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.7 t -139.45 123.39 17.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -76.11 -11.62 59.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -132.97 81.8 56.73 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.683 0.754 . . . . 0.0 110.952 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.474 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.5 Cg_endo -69.77 106.88 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.29 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.2 -178.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.8 p -56.35 -35.35 43.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -68.31 -21.48 64.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.01 -49.59 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.455 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 53.8 mtm-85 -60.92 -41.67 96.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.81 -57.53 10.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -54.51 -45.24 73.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.6 -38.34 86.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.43 -40.51 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.45 -17.21 30.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -73.41 -30.21 63.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.423 ' CG2' ' HB2' ' A' ' 21' ' ' ALA . 3.1 pt -123.08 3.38 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 60.58 48.89 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.415 HD13 ' CD1' ' A' ' 44' ' ' ILE . 16.3 mt -127.0 150.73 72.78 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.601 0.715 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.458 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.1 Cg_endo -69.79 134.58 28.26 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.672 2.248 . . . . 0.0 112.375 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 17.2 tt0 -47.9 -20.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.58 -39.01 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.458 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.5 mmt180 -62.69 -52.83 61.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.7 mt -46.75 -48.61 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.455 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 2.6 mt-30 -48.65 -49.14 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' SER . 21.6 t -64.28 -64.79 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.553 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 48.5 t90 -38.28 -37.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.474 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.4 m-85 -77.45 -40.52 42.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 53' ' ' VAL . 14.6 t -56.97 -54.55 45.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -57.52 -39.58 76.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.553 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 7.7 mmt-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.0 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.743 0.306 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -49.33 -37.27 23.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -60.33 -28.6 68.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -92.01 -47.2 7.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.5 mt -53.32 -35.58 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -62.92 -43.72 98.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.6 -29.24 45.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.439 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 11.9 mt -75.71 -25.26 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.69 -40.7 22.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -60.21 -38.15 82.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -70.05 -29.34 66.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -76.26 -39.97 53.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -56.9 -29.99 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.834 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -89.82 -46.65 8.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.2 t -143.68 127.92 17.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.075 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -77.4 -12.69 59.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -131.61 80.9 65.55 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.629 0.728 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 55' ' ' PHE . 53.7 Cg_endo -69.86 99.12 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.743 2.296 . . . . 0.0 112.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -48.74 175.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.51 -38.21 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -63.22 -22.42 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.77 -48.45 6.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.451 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 55.8 mtm-85 -60.4 -37.5 81.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.72 -56.57 11.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -55.32 -42.7 74.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.2 -39.03 75.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.12 -37.09 9.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.53 -16.46 27.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -75.53 -38.04 59.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.461 ' CD1' HD13 ' A' ' 46' ' ' LEU . 4.2 pt -112.56 3.57 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.211 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t70 60.99 50.07 5.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 44' ' ' ILE . 15.9 mt -128.29 150.12 73.25 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.547 0.689 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.454 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.5 Cg_endo -69.73 135.08 29.62 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.667 2.245 . . . . 0.0 112.413 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -48.91 -19.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.39 -39.74 38.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.142 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.454 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.0 mmt180 -61.58 -52.81 62.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.1 mt -45.94 -49.09 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.451 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -50.39 -40.53 50.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.6 t -72.31 -62.43 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.563 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 69.9 t90 -41.12 -37.62 0.91 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.447 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 11.4 m-85 -76.41 -39.72 52.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 t -56.44 -50.36 71.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -64.95 -31.84 73.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.563 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 30.0 mmt-85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.0 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.709 0.29 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -51.67 -25.51 7.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -73.98 -29.17 61.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.468 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 95.8 mt-30 -90.33 -38.19 13.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 mt -58.0 -47.17 87.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -49.58 -45.38 47.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.446 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -74.71 -33.27 62.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.2 mt -71.98 -26.86 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -82.57 -38.62 23.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -66.27 -29.8 70.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -79.7 -23.07 42.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 18.2 t80 -83.42 -39.77 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -58.4 -22.07 52.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -97.16 -36.93 10.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 t -155.14 130.48 9.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -81.14 -14.67 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -127.28 79.79 72.65 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.737 0.779 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.551 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.78 99.22 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -48.97 174.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.52 -34.88 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.225 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -68.13 -18.14 64.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.85 -51.34 4.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.044 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.432 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 55.4 mtm-85 -60.74 -39.33 88.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -63.4 -57.49 10.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.0 mmt-85 -56.04 -44.75 79.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.3 tp -66.48 -40.99 89.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.39 -35.11 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.7 -16.7 28.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -77.56 -31.21 53.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.468 ' CG2' ' HA ' ' A' ' 18' ' ' GLN . 3.0 pt -120.06 6.18 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 58.04 49.16 12.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.408 ' HG ' ' NE2' ' A' ' 18' ' ' GLN . 17.3 mt -127.07 149.25 68.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.642 0.734 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.436 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.72 139.61 40.76 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.645 2.23 . . . . 0.0 112.414 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 6.4 tt0 -52.74 -16.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.48 -37.92 27.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.436 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.9 mmt180 -63.39 -52.93 59.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.444 HG22 ' CD1' ' A' ' 55' ' ' PHE . 28.0 mt -46.69 -46.99 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.432 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -51.04 -45.57 61.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 t -69.11 -55.04 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.52 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 30.9 t90 -49.36 -32.86 12.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.551 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.6 m-85 -80.98 -37.29 29.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.5 t -57.95 -52.45 65.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.765 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -58.7 -31.94 68.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.52 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 5.9 mmm180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.684 0.278 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -45.85 -39.28 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -57.84 -35.69 71.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.415 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 84.6 mt-30 -87.18 -38.37 16.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.8 mt -59.15 -35.17 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 6.1 pt-20 -63.79 -38.59 91.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 20' ' ' GLU . . . -80.8 -27.96 36.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mt -77.6 -29.89 52.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.46 -46.69 25.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -57.58 -37.02 72.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -68.12 -30.09 69.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.476 ' CE1' ' CD2' ' A' ' 30' ' ' HIS . 5.7 t80 -77.69 -38.12 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -55.73 -28.7 57.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -91.3 -45.31 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.9 t -141.53 123.12 15.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.476 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 24.0 m170 -74.43 -13.15 60.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -134.46 82.62 45.52 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.628 0.728 . . . . 0.0 110.971 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.558 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.3 Cg_endo -69.74 109.49 2.32 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.686 2.258 . . . . 0.0 112.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -60.97 -174.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.88 -37.46 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -66.65 -20.6 66.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.63 -52.54 4.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.458 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 43.3 mtm-85 -56.25 -36.78 68.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -66.63 -56.75 9.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -53.98 -43.39 69.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.809 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.13 -39.15 75.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.24 -36.85 6.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.7 -16.69 26.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -74.36 -26.49 60.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.415 ' CG2' ' HA ' ' A' ' 18' ' ' GLN . 2.8 pt -125.61 -3.06 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.207 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.3 t0 70.48 41.33 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.3 mt -119.26 147.0 42.07 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.596 0.712 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.461 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.1 Cg_endo -69.8 134.72 28.58 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.243 . . . . 0.0 112.355 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 6.9 tt0 -46.25 -20.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 47' ' ' PRO . . . -77.34 -38.4 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.461 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.7 mmt180 -62.68 -55.95 22.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.541 HG23 ' CD1' ' A' ' 55' ' ' PHE . 44.0 mt -43.81 -47.15 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.458 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -48.98 -46.84 44.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.53 -61.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.563 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 68.6 t90 -43.44 -42.91 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.558 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.9 m-85 -70.28 -35.82 73.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.2 t -61.69 -44.6 96.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -65.32 -34.73 79.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.563 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 19.4 mmt-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.3 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.76 0.314 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -51.98 -30.59 25.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.11 -26.06 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.446 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 91.6 mt-30 -94.38 -34.25 12.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.7 -32.63 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -63.78 -43.79 95.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.47 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . . . -78.21 -31.53 49.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.1 mt -72.17 -22.87 61.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -83.25 -46.77 12.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -54.6 -39.9 68.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -69.37 -28.92 66.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.405 ' CE1' ' CD2' ' A' ' 30' ' ' HIS . 5.4 t80 -77.04 -40.38 46.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -56.59 -29.93 62.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -89.72 -46.14 8.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -144.72 127.11 15.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.405 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 21.1 m170 -76.56 -12.57 60.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -133.32 80.62 57.9 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.649 0.738 . . . . 0.0 110.937 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.407 ' HG3' ' CZ ' ' A' ' 55' ' ' PHE . 53.3 Cg_endo -69.82 108.23 2.04 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.292 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -54.6 -175.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.49 -40.67 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.064 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -62.63 -22.29 66.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.39 -53.72 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.067 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.46 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 51.9 mtm-85 -61.07 -39.96 91.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.71 -53.25 57.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -61.47 -42.79 99.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.6 -38.08 83.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.08 -35.35 6.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.092 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.64 -17.91 26.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -74.0 -30.51 62.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 21' ' ' ALA . 2.2 pt -122.47 3.12 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 t0 60.82 47.48 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 44' ' ' ILE . 17.8 mt -124.34 150.13 63.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.49 0.662 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.466 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.1 Cg_endo -69.79 135.69 31.03 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -47.89 -20.42 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.77 -40.68 40.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.466 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 8.9 mmt-85 -60.31 -52.96 63.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 28.5 mt -46.1 -50.12 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.46 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -48.95 -43.88 40.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.2 t -67.6 -62.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.548 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 75.0 t90 -40.74 -43.67 2.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.407 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 11.3 m-85 -69.34 -42.94 74.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.2 t -53.95 -52.14 61.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -61.46 -40.88 96.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.548 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 13.2 mmt-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -100.36 -64.34 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -115.54 117.84 31.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.54 -142.93 6.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -173.51 169.36 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.871 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -127.16 130.03 48.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.14 83.63 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -130.69 142.03 50.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -89.44 122.11 32.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -102.35 -47.3 4.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.02 158.8 39.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.1 t -126.44 145.89 50.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.1 m -100.23 -54.12 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -67.22 169.27 8.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.4 p -115.31 149.34 38.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -46.8 -36.68 7.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.23 -34.25 77.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.468 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 95.7 mt-30 -85.01 -34.65 22.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 64.8 mt -64.9 -45.95 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.169 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -50.88 -43.32 59.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.469 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -76.11 -31.45 58.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mt -73.89 -28.17 61.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -80.5 -35.28 34.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -67.07 -31.95 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -81.63 -24.28 36.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 5.2 t80 -80.35 -40.98 25.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -56.76 -24.56 50.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -94.08 -51.14 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -136.06 126.06 26.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -77.55 -13.44 59.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -134.19 80.6 52.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.687 0.756 . . . . 0.0 110.95 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.516 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.6 Cg_endo -69.69 107.93 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -52.41 179.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.7 p -57.69 -34.54 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -67.06 -21.36 65.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.43 -50.55 5.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.446 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 35.6 mtm-85 -60.11 -37.5 80.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -67.54 -55.64 12.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.3 mtt-85 -55.34 -42.55 74.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 tp -69.41 -36.91 77.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.58 -37.74 5.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.53 -18.76 24.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -73.22 -30.78 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 21' ' ' ALA . 3.7 pt -123.0 5.02 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.48 52.98 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 44' ' ' ILE . 18.5 mt -130.69 149.08 72.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.681 0.753 . . . . 0.0 110.839 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.465 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.4 Cg_endo -69.76 134.65 28.5 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -46.23 -21.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 47' ' ' PRO . . . -77.45 -40.62 42.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.465 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 11.6 mmt-85 -60.73 -52.44 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.8 mt -47.11 -47.77 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.446 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.2 mt-30 -50.67 -46.35 58.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.93 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.558 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 68.9 t90 -43.0 -43.25 4.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.516 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.9 m-85 -70.58 -36.16 73.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.8 t -59.98 -58.2 9.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -56.26 -36.23 68.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 17.2 mmt-85 -57.2 -51.04 70.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -46.29 -39.69 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.79 -29.14 66.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.58 -21.86 32.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -89.13 -44.3 10.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -65.2 -33.49 76.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -76.11 -38.49 56.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 66' ' ' GLU . 8.2 mt-10 -74.1 -59.38 2.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' GLU . 2.3 tm-20 -34.98 -39.75 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -64.66 -51.24 63.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' GLU . 32.0 mt -45.9 -31.17 2.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -77.56 -37.51 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -68.19 -39.25 82.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -70.04 -19.99 63.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 73' ' ' ARG . 19.0 ttp180 -92.48 -34.53 14.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' ARG . 39.8 ttp180 -37.67 140.52 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -123.5 106.44 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.2 m -50.44 -55.7 14.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.804 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.72 146.24 50.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.426 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 97.4 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.65 2.233 . . . . 0.0 112.293 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -70.13 83.09 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.812 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.5 t -110.37 153.49 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.403 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 m -93.66 118.37 31.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -80.91 -52.18 7.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.35 168.66 44.93 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -129.91 111.92 13.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -59.94 177.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.09 97.69 0.15 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.4 pm0 -128.18 137.41 52.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.4 mtm-85 -82.26 145.17 30.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -85.67 -44.2 12.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -91.93 119.79 32.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 13' ' ' SER . 12.1 m -111.99 130.57 55.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 12' ' ' THR . 51.0 m -35.65 -65.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -49.71 167.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.0 p -115.94 154.78 29.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.085 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -49.01 -38.72 24.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.68 -30.4 68.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -90.09 -43.71 10.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.6 mt -54.31 -37.63 37.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 8.8 pt-20 -63.15 -40.53 97.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.458 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -77.59 -28.16 51.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 mt -79.26 -32.39 43.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -72.87 -43.56 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -60.22 -38.56 83.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -68.56 -30.68 69.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.557 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 5.1 t80 -73.05 -45.46 57.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.77 -34.45 39.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -83.78 -43.64 15.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.1 t -149.34 126.13 11.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.47 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 17.5 m170 -75.84 -14.5 60.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -130.78 80.64 69.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.665 0.745 . . . . 0.0 110.957 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.3 Cg_endo -69.73 102.72 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -51.52 179.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 p -55.98 -35.98 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -66.44 -18.8 65.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.74 -52.93 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.443 ' HG2' ' CG2' ' A' ' 51' ' ' ILE . 63.0 mtm-85 -59.2 -36.54 75.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -65.76 -53.47 40.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -59.48 -41.79 90.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.462 ' CD1' ' HE2' ' A' ' 43' ' ' LYS . 1.7 tp -69.81 -41.91 74.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.12 -37.33 4.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.89 -15.33 28.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.462 ' HE2' ' CD1' ' A' ' 40' ' ' LEU . 22.7 ttpt -76.89 -33.04 57.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.458 ' CG2' ' HB3' ' A' ' 21' ' ' ALA . 2.0 pt -119.02 0.32 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 66.24 49.44 1.49 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 44' ' ' ILE . 27.1 mt -127.57 147.76 63.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.468 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.79 135.16 29.68 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.73 2.287 . . . . 0.0 112.347 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -45.61 -25.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.88 -41.52 64.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.468 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.7 mmt-85 -60.28 -54.76 41.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.443 ' CG2' ' HG2' ' A' ' 37' ' ' ARG . 37.0 mt -44.1 -46.89 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.435 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.6 mt-30 -51.71 -41.23 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.4 t -70.82 -59.71 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.565 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 22.6 t90 -46.35 -27.1 0.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.457 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.9 m-85 -88.64 -37.51 15.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.7 t -60.06 -37.0 78.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -71.63 -42.87 67.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.565 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 12.3 mmm180 -53.09 -47.57 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -48.95 -39.01 24.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.84 -32.11 69.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -82.29 -25.44 34.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -85.24 -43.27 13.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -66.99 -28.28 68.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -81.63 -38.82 25.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -72.39 -51.47 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.74 -32.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.82 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -82.13 -53.08 6.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.925 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.4 mt -50.78 -39.89 53.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -67.65 -43.83 79.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -54.78 -32.5 60.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -76.9 -32.09 57.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 73' ' ' ARG . 33.4 ttt180 -97.51 18.71 14.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 72' ' ' ARG . 17.5 mmt180 -34.71 103.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.434 ' HG2' ' N ' ' A' ' 75' ' ' SER . 10.4 tt0 -70.48 150.7 45.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.434 ' N ' ' HG2' ' A' ' 74' ' ' GLN . 13.6 m -79.05 177.18 9.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.805 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.45 148.2 7.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.27 66.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t -124.21 165.79 16.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.0 t -146.23 131.29 18.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -103.11 167.89 9.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.885 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -101.57 148.17 25.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.48 116.73 0.94 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 t -110.04 158.09 18.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.959 0.409 . . . . 0.0 110.857 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 m -104.89 -52.41 2.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.828 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.37 70.69 1.15 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -121.83 120.82 35.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.836 0.351 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.01 154.5 19.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -132.29 90.65 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -141.25 112.61 7.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.9 p -98.23 109.86 22.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.0 m -85.42 -46.55 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -57.36 166.34 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.8 p -112.58 154.47 25.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.174 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.33 -33.28 28.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -65.89 -27.78 68.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.441 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 84.0 mt-30 -92.76 -41.57 10.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.4 mt -56.54 -37.84 53.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.7 -45.88 88.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.465 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . . . -75.96 -33.32 59.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.428 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 14.3 mt -70.54 -25.19 62.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -83.15 -49.29 9.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -54.7 -41.71 70.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.494 ' OE2' ' CG2' ' A' ' 29' ' ' THR . 10.6 tp10 -63.05 -31.1 72.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.527 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 3.4 t80 -72.81 -43.04 63.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -54.73 -30.36 55.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -88.13 -44.59 10.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.494 ' CG2' ' OE2' ' A' ' 25' ' ' GLU . 6.7 t -146.68 125.13 12.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.407 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 18.8 m170 -75.34 -15.89 60.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -134.04 80.96 52.61 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.662 0.744 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 106.08 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -52.31 178.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.2 p -55.48 -39.13 52.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -63.54 -21.93 66.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.02 -49.63 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.467 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 50.2 mtm-85 -59.48 -36.33 75.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -67.13 -54.04 25.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -56.51 -43.05 79.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tp -69.4 -36.93 77.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.69 -37.0 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.03 -16.7 26.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -73.92 -28.32 61.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.465 ' CG2' ' HB2' ' A' ' 21' ' ' ALA . 3.4 pt -124.77 0.68 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 t70 64.24 50.22 2.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 44' ' ' ILE . 17.3 mt -128.35 149.32 71.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.437 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.5 Cg_endo -69.86 138.35 37.28 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.614 2.21 . . . . 0.0 112.294 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -50.46 -18.58 0.68 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.86 -37.11 35.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.437 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.1 mmt-85 -65.44 -51.16 62.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.6 mt -46.09 -50.7 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.467 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.1 mt-30 -49.6 -46.46 49.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.004 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.73 -61.37 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.555 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 58.9 t90 -42.41 -45.38 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -68.47 -41.01 80.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.9 t -53.85 -44.78 70.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -64.7 -38.01 89.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 10.5 mmm180 -59.55 -55.93 28.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -38.97 -44.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.56 -36.67 84.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 58' ' ' ARG . 19.3 tttp -76.42 -27.71 56.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -80.33 -50.68 9.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -58.59 -43.84 89.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.419 ' CG ' ' N ' ' A' ' 65' ' ' GLU . 3.4 ptm180 -64.66 -42.8 95.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 64' ' ' ARG . 9.1 mt-10 -64.35 -55.72 19.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -35.71 17.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 70' ' ' ASN . 7.7 tptm -63.81 -52.61 59.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.7 mt -39.07 -30.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' LYS . 15.2 ttt180 -87.02 -41.11 14.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' LYS . 48.9 m-20 -63.54 -23.91 67.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -77.68 -37.89 48.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -57.26 -29.44 63.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -70.46 147.02 49.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -84.9 41.67 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.8 m -43.35 -49.56 6.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.94 -92.68 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 101.61 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 m -126.9 122.57 35.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.2 t -45.11 -54.47 6.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.468 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 3' ' ' SER . 8.8 m -67.49 143.76 56.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 110.838 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 2' ' ' SER . 44.4 m -36.41 132.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.85 48.85 0.95 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.0 p -125.41 124.41 41.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 t -144.73 163.88 32.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.33 156.6 7.84 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -126.49 -45.21 1.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -114.86 149.06 37.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -112.99 83.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -132.52 126.69 33.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -36.45 144.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.4 p -115.36 -175.03 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.474 ' CE1' ' HD2' ' A' ' 50' ' ' ARG . 17.6 m-85 -45.94 160.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.2 p -130.57 159.92 35.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.165 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -49.02 -21.01 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -80.71 -32.02 35.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 83.8 mt-30 -88.86 -33.9 17.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.9 mt -63.8 -30.42 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.68 -43.54 75.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . . . -74.25 -33.44 63.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.0 mt -71.75 -30.21 65.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.37 -38.43 50.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -65.88 -46.52 78.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.17 -36.17 76.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.506 ' CE1' ' CD2' ' A' ' 30' ' ' HIS . 4.3 t80 -63.93 -50.69 67.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -47.85 -40.49 21.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -75.47 -39.45 58.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 t -152.94 122.42 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.506 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 24.4 m170 -71.63 -15.04 62.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -133.4 80.63 57.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.719 0.771 . . . . 0.0 110.991 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.421 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.6 Cg_endo -69.66 103.04 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -54.92 -179.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.9 p -51.93 -42.46 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.86 -19.92 60.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.57 -48.35 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.451 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 36.2 mtm-85 -65.11 -32.34 73.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -68.93 -53.48 20.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -61.8 -46.22 90.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' LYS . 3.3 tp -65.12 -42.11 94.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.16 -33.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.05 -19.61 22.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 40' ' ' LEU . 42.1 tttt -75.27 -24.97 57.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.463 ' CG2' ' HA ' ' A' ' 18' ' ' GLN . 4.1 pt -125.44 0.53 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.53 47.91 3.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.452 HD11 ' CD1' ' A' ' 44' ' ' ILE . 23.1 mt -126.28 147.02 58.27 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.588 0.709 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.463 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.8 Cg_endo -69.76 134.75 28.74 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.349 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -46.44 -21.93 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.33 -38.19 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.474 ' HD2' ' CE1' ' A' ' 14' ' ' PHE . 8.6 mmt180 -63.52 -56.86 12.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.8 mt -42.18 -45.68 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.198 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.451 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 5.2 mt-30 -50.37 -43.38 54.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 56' ' ' SER . 15.3 t -71.52 -65.71 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.557 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 47.8 t90 -38.8 -31.08 0.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.421 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.3 m-85 -85.21 -38.15 19.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 53' ' ' VAL . 5.1 t -56.89 -43.7 81.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -69.05 -37.61 78.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.557 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 11.7 mmt180 -58.06 -54.79 42.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -39.05 -45.33 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.86 -36.59 83.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 58' ' ' ARG . 11.7 tttp -74.55 -22.54 58.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -87.73 -47.08 8.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -65.2 -26.76 68.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -84.08 -37.6 21.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 67' ' ' LYS . 12.9 mt-10 -73.55 -51.69 16.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.51 -29.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 65' ' ' GLU . 77.8 tttt -83.07 -53.76 5.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.01 -40.76 67.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.0 ttt-85 -48.02 -51.96 21.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -64.55 -41.76 96.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -49.04 -43.83 41.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 72' ' ' ARG . 2.0 tpm_? -87.52 -31.79 19.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -42.55 140.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -40.78 -44.3 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.5 m -50.56 119.02 3.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 132.0 -93.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.525 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 102.56 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.717 2.278 . . . . 0.0 112.333 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.7 t -86.17 93.52 9.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.7 m -156.6 137.39 13.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.491 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.5 p -130.69 -49.63 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 110.837 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m 56.21 41.34 29.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.26 56.52 0.5 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.432 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -136.02 140.92 44.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.812 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -146.7 176.45 9.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.66 -112.67 3.04 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 49.67 40.63 20.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -135.54 141.91 45.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -153.5 122.63 6.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.87 133.15 52.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.5 p -83.65 44.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.2 t -54.41 -36.74 64.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.997 0.427 . . . . 0.0 110.961 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 54' ' ' TRP . 65.5 m-85 -75.7 168.95 19.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.2 p -120.34 154.21 35.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -50.51 -31.97 16.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.87 -28.71 68.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.417 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 92.7 mt-30 -91.33 -39.3 12.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.5 mt -58.9 -36.12 59.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 9.8 pt-20 -62.18 -43.4 98.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.455 ' N ' ' HG3' ' A' ' 20' ' ' GLU . . . -78.23 -29.57 48.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.436 HD22 ' CD2' ' A' ' 40' ' ' LEU . 14.1 mt -75.53 -24.94 56.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -80.01 -42.81 23.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -59.8 -35.28 74.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -78.33 -21.26 49.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 9.9 t80 -84.08 -39.76 19.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -60.61 -17.02 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -100.84 -38.89 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 t -152.4 127.11 9.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -78.07 -14.94 59.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -127.69 80.15 72.41 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.737 0.779 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.493 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.9 Cg_endo -69.69 103.28 1.13 Allowed 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.782 2.321 . . . . 0.0 112.369 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.86 176.81 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 p -54.16 -34.4 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -68.03 -19.98 64.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.48 -51.96 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.432 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 23.6 mtm-85 -60.58 -36.06 77.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.47 -57.77 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -54.81 -47.38 74.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.436 ' CD2' HD22 ' A' ' 22' ' ' LEU . 2.2 tp -63.63 -42.63 98.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.36 -42.74 10.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.069 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.21 -16.77 45.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -78.67 -35.18 45.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 21' ' ' ALA . 2.3 pt -115.94 8.59 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.182 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 t0 57.43 43.26 23.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.442 HD13 ' CD1' ' A' ' 44' ' ' ILE . 16.7 mt -120.15 145.61 40.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.654 0.74 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.442 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.81 138.65 38.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -50.38 -18.64 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.07 -36.48 35.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.442 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 6.6 mmt-85 -66.67 -54.74 19.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.9 mt -43.75 -44.62 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.432 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.4 mt-30 -51.16 -48.57 61.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 56' ' ' SER . 23.9 t -65.19 -62.89 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.545 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 71.1 t90 -40.77 -37.63 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.493 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 9.0 m-85 -78.23 -37.55 45.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' VAL . 33.4 t -59.91 -46.95 87.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -69.32 -35.01 75.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.545 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 26.4 mmt-85 -56.95 -53.48 57.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -41.48 -45.47 3.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.52 -34.27 77.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' ARG . 12.7 ttmm -75.63 -26.39 57.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -84.53 -42.58 15.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -66.3 -38.93 88.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -39.26 72.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.79 -55.3 7.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.19 -32.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -61.92 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.7 mt -38.94 -40.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -71.86 -50.79 26.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -53.33 -28.4 28.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -71.09 -43.3 67.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -30.73 70.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.818 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.406 ' C ' ' HD3' ' A' ' 73' ' ' ARG . 0.5 OUTLIER -101.35 166.32 10.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -79.35 124.98 28.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.5 t -155.47 146.46 22.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.54 146.24 21.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 166.33 27.99 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.756 2.304 . . . . 0.0 112.301 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 85.7 p -108.11 158.58 17.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' GLY . 73.6 p -44.07 157.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -108.91 148.24 30.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.911 0.386 . . . . 0.0 110.898 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 t -44.52 153.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.41 95.87 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.557 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.1 m -100.56 96.87 7.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -91.99 152.05 20.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.09 138.76 10.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -173.29 105.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -53.98 161.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -106.51 -56.88 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 12' ' ' THR . 9.7 tpp85 -65.6 150.28 48.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 48.7 m -83.96 100.16 10.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.112 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 m -73.87 -59.29 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -68.14 173.33 4.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 p -119.84 154.6 34.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -52.05 -30.48 25.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -66.75 -30.44 70.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.421 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 80.6 mt-30 -91.28 -43.05 10.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.1 mt -55.39 -37.86 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -59.02 -43.36 91.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . . . -77.95 -30.71 50.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.153 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.438 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 7.7 mt -74.07 -22.66 59.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -86.03 -40.47 15.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -60.07 -33.44 72.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -78.36 -25.54 46.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 7.2 t80 -79.37 -42.46 25.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -56.43 -22.73 33.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -96.87 -44.42 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -146.23 129.1 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.182 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -80.02 -14.09 58.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -130.6 80.62 69.68 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.717 0.77 . . . . 0.0 110.939 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.83 104.39 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.599 2.199 . . . . 0.0 112.37 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -48.74 176.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.65 -35.99 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -67.34 -18.43 65.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.92 -52.81 4.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.447 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 42.8 mtm-85 -58.62 -35.33 72.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -68.66 -57.39 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -54.16 -43.36 70.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tp -69.42 -37.11 77.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.33 -37.61 5.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.38 -17.01 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -72.23 -27.01 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.457 ' CG2' ' HB2' ' A' ' 21' ' ' ALA . 1.2 pt -126.15 -4.0 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.5 t0 70.78 44.85 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.9 mt -123.76 148.33 56.1 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.457 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.0 Cg_endo -69.7 138.57 38.33 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 8.2 tt0 -49.65 -18.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.73 -40.36 29.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.457 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 11.1 mmt85 -61.78 -52.76 62.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.802 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.1 mt -46.24 -48.37 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.447 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.0 mt-30 -49.12 -51.11 33.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.2 t -61.39 -60.58 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.547 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 60.8 t90 -43.83 -38.37 3.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -77.02 -33.86 57.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.8 t -64.44 -46.84 81.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -65.97 -43.21 88.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.547 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 41.9 mmt-85 -50.05 -54.24 21.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -42.05 -36.79 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.05 -42.03 90.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -75.03 -34.71 61.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -70.98 -42.15 70.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.9 mtp85 -71.12 -34.59 71.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -76.08 -39.65 54.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 67' ' ' LYS . 5.8 mt-10 -69.89 -53.97 15.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -35.01 -35.43 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -75.37 -56.44 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.7 mt -47.04 -41.07 16.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -52.12 -39.03 59.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -66.81 -32.35 73.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -66.55 -12.52 58.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 74' ' ' GLN . 14.6 tpt180 -106.62 21.07 18.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.5 ' O ' ' CD ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER 33.97 33.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 72' ' ' ARG . 51.9 tt0 -84.17 -55.51 4.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.3 m -133.54 156.67 47.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.35 176.23 38.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.73 4.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.3 t -88.95 133.3 34.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 t -102.88 112.88 25.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -132.67 149.73 52.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.885 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 t -48.11 145.19 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.33 76.3 0.33 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -97.57 141.69 30.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.378 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -120.35 177.43 5.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.65 -105.24 0.49 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.44 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -97.73 107.56 20.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.766 0.317 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -70.48 -52.95 18.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -136.29 124.73 23.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -97.94 129.88 44.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.812 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.2 p -87.7 116.37 25.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m -119.89 -56.95 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -94.7 166.24 12.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.1 p -112.5 153.41 27.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.39 -29.31 23.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.22 -29.53 67.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.422 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 93.0 mt-30 -90.86 -37.74 13.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.9 mt -62.14 -28.16 43.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -68.88 -40.73 79.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.53 -31.99 47.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.458 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 10.5 mt -73.39 -24.93 60.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -80.63 -44.14 19.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -61.37 -28.2 69.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -82.97 -24.92 32.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 11.8 t80 -85.53 -39.22 17.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.11 -26.29 66.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.56 -49.27 6.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.2 t -139.89 123.18 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -74.23 -12.84 60.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -126.18 80.65 68.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.679 0.752 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.551 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.71 95.13 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.95 174.53 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -54.23 -32.56 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -69.98 -17.92 63.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.45 -49.13 5.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.455 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 52.2 mtm-85 -64.33 -38.68 91.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.47 -53.72 38.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -61.53 -43.63 98.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tp -66.48 -38.25 86.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.85 -36.84 12.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.144 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.28 -16.75 30.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -76.32 -33.72 59.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.458 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 3.8 pt -118.51 6.83 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 57.17 51.03 10.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.0 mt -130.57 149.24 72.93 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.534 0.683 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.456 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.83 136.94 34.08 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.729 2.286 . . . . 0.0 112.36 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.435 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 8.0 tt0 -48.38 -19.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.71 -38.6 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.456 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.4 mmt85 -62.57 -53.27 57.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.0 mt -45.8 -49.4 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.455 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.5 mt-30 -47.99 -53.01 17.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.6 t -58.11 -58.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.529 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 56.6 t90 -47.28 -32.48 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.551 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 7.2 m-85 -81.06 -39.93 24.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.4 t -54.36 -54.67 37.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -59.54 -36.19 75.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.562 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 8.2 mmm180 -59.53 -53.94 52.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -46.19 -41.77 13.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.45 -42.7 74.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -71.46 -19.01 62.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -90.94 -48.35 7.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.1 mtt-85 -62.65 -29.64 70.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -80.12 -38.3 31.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -73.47 -52.94 11.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.27 -44.05 3.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -59.73 -48.7 80.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.3 mt -41.64 -48.07 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.7 ttp85 -49.0 -50.44 35.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -55.65 -33.72 64.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -68.13 -8.02 34.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.994 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -106.58 11.52 30.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -50.68 98.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 50.27 45.03 26.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.6 t -79.63 98.01 6.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.84 -159.15 14.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.439 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' SER . 53.0 Cg_endo -69.8 -33.07 17.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.264 . . . . 0.0 112.338 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' PRO . 87.3 p -36.79 103.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t 43.98 48.27 7.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.512 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 t -40.61 144.36 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.9 0.381 . . . . 0.0 110.83 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -121.48 172.7 7.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.18 128.39 7.95 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -72.34 -4.13 28.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.913 0.387 . . . . 0.0 110.84 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -121.22 97.64 5.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.82 90.98 0.11 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -146.41 162.3 38.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.323 . . . . 0.0 110.967 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 55.34 42.15 30.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -84.47 102.14 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -121.8 100.04 6.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.5 m -59.6 111.48 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.2 m -85.46 -61.66 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -63.33 169.78 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.5 p -110.71 154.2 24.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -31.08 33.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -67.76 -30.13 69.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.459 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 82.7 mt-30 -90.57 -38.43 13.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.7 mt -60.24 -32.36 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -65.45 -40.98 93.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.66 -29.67 36.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.557 HD11 ' CD1' ' A' ' 54' ' ' TRP . 10.5 mt -75.87 -25.13 55.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.68 -46.64 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -57.46 -43.12 83.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -64.42 -34.38 78.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 14.7 t80 -73.51 -45.35 54.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.4 -31.88 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -86.5 -45.32 11.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.833 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -144.05 124.83 14.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -75.58 -12.11 60.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.848 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -127.56 83.15 66.82 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.656 0.741 . . . . 0.0 110.913 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.558 ' HD3' ' CD2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.69 96.11 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.69 2.26 . . . . 0.0 112.388 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -51.64 177.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.0 p -53.41 -38.14 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -66.78 -21.77 66.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.08 -45.83 8.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.498 ' NH1' ' CD ' ' A' ' 52' ' ' GLN . 28.4 mtm180 -63.01 -43.7 98.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.27 -58.7 6.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -52.43 -44.97 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.404 ' CD2' HD23 ' A' ' 22' ' ' LEU . 1.8 tp -68.59 -39.63 80.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.72 -37.94 6.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.071 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.07 -20.34 22.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -69.93 -31.89 69.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.465 ' CD1' HD11 ' A' ' 46' ' ' LEU . 3.0 pt -120.77 -3.83 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 t0 68.55 44.84 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 44' ' ' ILE . 17.0 mt -122.05 149.32 53.84 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.57 0.7 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.468 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.76 135.66 31.03 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.658 2.239 . . . . 0.0 112.335 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 5.1 tt0 -46.0 -29.29 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.69 -39.94 80.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.468 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 8.1 mmt85 -63.0 -55.69 23.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.455 ' CG2' ' HG2' ' A' ' 37' ' ' ARG . 51.3 mt -41.0 -46.36 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.498 ' CD ' ' NH1' ' A' ' 37' ' ' ARG . 13.2 mt-30 -48.67 -59.12 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -53.19 -60.88 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.557 ' CD1' HD11 ' A' ' 22' ' ' LEU . 9.9 t90 -41.0 -43.56 2.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.558 ' CD2' ' HD3' ' A' ' 32' ' ' PRO . 12.3 m-85 -75.34 -38.18 60.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.5 t -57.71 -52.36 65.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -66.01 -35.82 81.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.525 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 21.4 tpt85 -54.21 -48.51 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -47.46 -42.99 23.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.08 75.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -77.92 -23.52 48.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -86.76 -48.72 8.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.5 mtp85 -61.87 -39.25 91.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -69.87 -40.57 75.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 66' ' ' GLU . 9.3 mt-10 -69.31 -57.78 4.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -36.42 -40.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -64.99 -54.1 35.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 70.3 mt -40.33 -45.02 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.986 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -58.64 -51.98 67.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -57.7 -45.44 85.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -48.65 -42.49 34.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 73' ' ' ARG . 66.0 mtt85 -112.31 21.53 15.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' ARG . 11.9 tpp180 -37.34 131.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -41.93 -61.48 1.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 64.5 m -39.77 118.37 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.59 83.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 92.71 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.309 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t 64.79 37.01 7.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.1 t -145.95 145.73 30.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.79 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.545 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 t -59.42 142.49 52.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.914 0.387 . . . . 0.0 110.862 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 m -120.01 166.41 13.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.51 150.34 7.9 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -95.32 159.65 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.934 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 p -156.73 120.77 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.55 124.33 5.22 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -99.77 57.98 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -117.09 119.54 35.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -149.38 146.64 27.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -112.78 134.34 54.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 t -59.66 -34.58 73.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.089 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.519 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 14.2 m 67.0 39.84 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 13' ' ' SER . 81.0 m-85 -161.48 174.03 14.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.2 p -119.31 152.38 36.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -48.49 -30.41 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -66.86 -32.28 73.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -90.5 -41.66 11.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.4 mt -55.13 -35.9 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -62.45 -44.42 96.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.63 -31.32 57.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 54' ' ' TRP . 12.2 mt -73.53 -23.61 60.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.484 ' CD ' ' NH2' ' A' ' 58' ' ' ARG . 11.7 mt-10 -83.99 -42.34 16.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -59.42 -36.63 76.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -76.05 -23.69 55.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 52.7 t80 -82.2 -41.07 20.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -60.4 -24.53 65.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -90.78 -40.44 11.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.8 t -150.97 122.17 7.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -71.32 -12.99 61.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -134.22 80.69 52.25 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.731 0.777 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.542 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.79 101.79 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.722 2.281 . . . . 0.0 112.353 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -46.78 173.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.7 p -53.82 -33.7 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -68.42 -17.92 64.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.08 -53.03 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.457 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 61.0 mtm-85 -56.76 -38.48 72.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -63.6 -57.32 10.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -54.13 -45.49 71.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.65 -38.38 86.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.17 -40.93 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.11 -15.08 34.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -75.0 -31.2 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.425 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 1.5 pt -122.67 2.97 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 t70 62.07 48.17 5.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.6 mt -126.46 149.71 68.42 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.588 0.709 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.458 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.5 Cg_endo -69.74 139.71 40.97 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.771 2.314 . . . . 0.0 112.283 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -51.92 -16.95 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.08 -33.34 29.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.458 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 14.4 mmt-85 -68.44 -51.79 39.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.458 HG22 ' CD1' ' A' ' 55' ' ' PHE . 24.0 mt -46.25 -50.88 4.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.457 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.3 mt-30 -46.7 -52.57 13.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.3 t -58.89 -55.39 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.46 ' CD1' HD12 ' A' ' 22' ' ' LEU . 12.5 t90 -49.76 -35.84 23.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.542 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.0 m-85 -77.14 -38.34 52.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.7 t -54.98 -57.88 9.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -61.51 -33.1 73.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.484 ' NH2' ' CD ' ' A' ' 23' ' ' GLU . 20.7 tpt180 -57.54 -52.33 65.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -47.86 -40.05 20.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.47 -44.82 85.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 51.4 tttt -65.83 -34.64 78.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -74.57 -50.54 17.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -58.11 -45.74 86.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.414 ' CG ' ' N ' ' A' ' 65' ' ' GLU . 4.0 ptp180 -63.42 -43.18 98.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 61' ' ' LYS . 10.5 mm-40 -64.74 -59.24 4.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -34.92 -38.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -74.22 -55.96 5.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.4 -34.94 50.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -50.81 -27.99 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -75.54 -40.31 57.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -83.35 -8.5 59.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 73' ' ' ARG . 5.5 tpt180 -108.87 19.92 19.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 72' ' ' ARG . 2.2 mmp_? -34.44 122.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -54.25 113.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.9 p -71.83 174.09 7.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.8 164.5 0.81 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.539 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 133.78 26.41 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.647 2.231 . . . . 0.0 112.418 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.6 t -91.57 141.58 28.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.4 p -69.87 99.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.548 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.411 -0.276 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -130.96 155.14 47.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.0 p -105.58 174.58 5.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.46 163.49 12.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -151.44 152.97 33.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.379 . . . . 0.0 110.833 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 p -148.35 123.04 9.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.17 127.11 1.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -83.86 148.1 27.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.411 ' C ' ' HD2' ' A' ' 9' ' ' ARG . 8.1 ppt_? -159.93 163.87 33.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.65 164.16 39.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.2 mmt-85 -145.41 124.11 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.3 p -90.48 92.23 8.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.5 m -92.29 -48.79 6.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -88.68 170.78 10.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.7 p -115.55 150.56 36.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.119 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -48.83 -38.78 23.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -59.65 -30.7 68.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.447 ' NE2' ' HG ' ' A' ' 46' ' ' LEU . 92.1 mt-30 -89.28 -37.24 15.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.96 -36.06 69.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.88 -40.97 97.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' HB1' ' CG2' ' A' ' 44' ' ' ILE . . . -82.15 -26.7 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.047 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.3 mt -78.0 -25.29 47.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -79.56 -42.36 25.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -59.04 -44.31 91.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.76 -33.62 76.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 4.6 t80 -71.03 -44.98 64.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -52.48 -36.12 54.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -80.8 -46.59 15.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.5 t -145.36 125.17 13.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -72.26 -15.35 61.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -129.78 81.38 69.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.701 0.762 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.547 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.81 99.48 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -50.04 174.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.4 p -50.94 -39.24 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -61.68 -22.76 65.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.24 -49.78 5.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.471 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 52.8 mtm-85 -59.4 -38.43 80.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.98 -57.07 9.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.34 -44.17 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.824 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 44' ' ' ILE . 1.4 tp -67.99 -40.04 83.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.44 -34.93 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.03 -17.36 25.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 40' ' ' LEU . 13.9 ttpt -78.06 -34.57 50.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.464 HD11 ' CD2' ' A' ' 40' ' ' LEU . 5.1 pt -113.59 -3.3 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 t0 65.29 42.97 3.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' ' 44' ' ' ILE . 18.6 mt -122.38 150.28 57.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.61 0.719 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.459 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.2 Cg_endo -69.71 134.64 28.58 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -46.23 -23.42 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.58 -40.55 61.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.459 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.3 mmt180 -62.4 -54.33 41.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.1 mt -43.6 -47.04 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.471 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.4 mt-30 -50.64 -52.78 36.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.98 -60.66 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 62.8 t90 -42.48 -40.02 2.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.547 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.1 m-85 -74.51 -40.42 61.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.3 m -54.93 -56.72 16.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -56.99 -43.14 81.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 21.2 mmt180 -51.36 -54.7 23.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -39.8 -44.47 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.67 -37.96 87.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 39.4 tttp -72.97 -31.35 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -78.61 -47.75 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -59.22 -38.32 79.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -72.67 -40.55 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 61' ' ' LYS . 8.1 mm-40 -66.88 -54.83 18.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.4 OUTLIER -35.31 -43.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -70.43 -57.67 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.9 mt -47.63 -39.17 16.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -74.41 -47.12 35.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -46.95 -40.17 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -59.09 -41.72 88.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.6 ttt-85 -57.7 -34.11 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -38.28 149.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -38.07 120.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.435 ' CB ' ' HB2' ' A' ' 78' ' ' SER . 1.8 m -166.21 134.41 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.454 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -74.55 -60.34 3.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.439 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' A' ' 76' ' ' GLY . 54.2 Cg_endo -69.77 -7.6 21.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.435 ' HB2' ' CB ' ' A' ' 75' ' ' SER . 3.3 t -50.16 -46.97 54.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.9 t -88.45 143.86 26.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 t -137.19 138.52 40.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.949 0.404 . . . . 0.0 110.806 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 p -69.21 150.81 47.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.931 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.82 66.55 0.24 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 6' ' ' SER . 50.1 m -67.79 110.53 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 5' ' ' SER . 18.8 m 38.23 41.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.22 -66.23 0.23 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.446 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -61.7 -55.47 30.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -115.69 92.45 3.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -45.67 -59.85 2.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 42.22 39.47 1.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -119.62 130.77 55.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 m -90.14 -39.62 12.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.815 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -64.49 171.76 3.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 p -120.09 153.47 36.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.11 -36.76 31.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -64.08 -29.06 70.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.462 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 87.7 mt-30 -90.51 -35.55 15.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.64 -27.1 42.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -71.28 -39.96 71.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -80.63 -28.23 37.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 10.2 mt -76.24 -26.78 56.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -79.78 -44.21 21.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -56.51 -38.45 71.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -70.77 -30.56 67.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -71.31 -47.57 55.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.72 -34.65 39.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -81.64 -47.26 13.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 t -145.06 125.34 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -73.94 -16.33 61.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.772 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -131.78 81.05 64.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.653 0.74 . . . . 0.0 110.959 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 105.41 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -52.7 -179.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.4 p -56.97 -35.08 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -67.12 -19.7 65.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.12 -51.21 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.435 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 48.2 mtm-85 -60.41 -31.96 70.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.67 -52.09 23.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -60.74 -42.83 98.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.824 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 tp -68.45 -40.52 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.36 -34.01 4.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.12 -17.07 25.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -74.94 -30.1 61.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.465 ' CD1' ' HG ' ' A' ' 22' ' ' LEU . 1.1 pt -122.05 1.1 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.1 t0 63.97 49.68 2.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.4 mt -127.3 150.21 71.86 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.606 0.717 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.454 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.67 138.7 38.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.401 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 5.6 tt0 -50.72 -17.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.7 -37.51 30.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.454 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 6.3 mmt-85 -62.45 -55.19 30.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' A' ' 55' ' ' PHE . 36.2 mt -45.02 -49.65 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.11 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.435 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.4 mt-30 -46.81 -49.24 20.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 56' ' ' SER . 41.7 t -63.03 -64.5 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.148 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.561 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 74.7 t90 -38.23 -44.43 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.997 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.409 ' CD1' HG22 ' A' ' 51' ' ' ILE . 12.1 m-85 -69.79 -42.43 73.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' VAL . 3.8 t -51.93 -52.47 49.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -62.19 -40.05 94.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.561 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 36.3 mmt-85 -55.49 -54.44 43.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -42.1 -39.06 1.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.53 -35.92 73.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' ARG . 52.3 tttt -78.04 -21.47 50.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -88.76 -47.0 8.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.967 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -64.65 -32.69 74.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -76.72 -39.07 53.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 68' ' ' LEU . 9.6 mt-10 -74.5 -58.74 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -35.82 -36.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.911 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -69.12 -48.48 62.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 65' ' ' GLU . 18.3 mt -54.65 -32.89 59.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -58.72 -51.7 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.821 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -59.84 -37.72 80.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -60.47 -17.88 47.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -87.43 -31.59 19.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.1 ttt85 -42.0 140.59 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.1 92.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.1 p -147.2 121.13 9.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -43.05 157.55 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.532 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.93 67.61 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.1 m -110.64 -52.38 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.2 m 57.15 42.27 25.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -161.12 133.89 6.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 p -101.29 120.75 40.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.33 -149.45 45.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -112.4 157.13 21.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.823 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 p -51.56 -54.23 29.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.22 82.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.442 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -96.36 83.99 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -138.35 148.23 44.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -166.12 131.39 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 1.2 mpp_? -99.77 101.24 12.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.1 m -52.89 105.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -90.99 -57.93 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -68.8 161.62 28.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 t -113.23 150.14 32.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -41.83 -41.05 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -55.96 -39.17 71.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' NE2' ' HG ' ' A' ' 46' ' ' LEU . 81.8 mt-30 -85.75 -34.42 21.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.62 -37.87 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 7.3 pt-20 -61.97 -40.58 96.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . . . -79.78 -30.05 40.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.559 HD13 ' CD1' ' A' ' 54' ' ' TRP . 10.3 mt -74.96 -27.08 60.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -81.84 -44.49 16.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -58.91 -47.72 84.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.1 -33.24 64.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE1' ' CD2' ' A' ' 30' ' ' HIS . 7.5 t80 -72.25 -42.32 65.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -53.18 -29.67 33.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -89.68 -44.77 9.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.1 t -145.22 123.24 12.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.567 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 22.9 m170 -73.47 -12.98 60.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -134.34 80.95 50.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.718 0.771 . . . . 0.0 110.907 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 100.36 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.653 2.235 . . . . 0.0 112.422 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -48.89 175.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.8 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.1 p -52.76 -38.32 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -63.5 -22.36 66.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.46 -51.27 5.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.464 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 53.7 mtm-85 -60.35 -34.88 74.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.12 -55.61 15.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -57.37 -45.76 84.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' CD2' HD11 ' A' ' 44' ' ' ILE . 2.4 tp -64.9 -38.45 91.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.45 -35.91 13.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.52 -15.78 32.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -80.52 -40.9 25.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.463 ' CD1' HD11 ' A' ' 46' ' ' LEU . 11.8 pt -107.74 8.08 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 54.52 50.59 15.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 44' ' ' ILE . 17.1 mt -131.59 149.83 74.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.427 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.3 Cg_endo -69.75 139.76 41.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.238 . . . . 0.0 112.354 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -50.8 -18.12 0.68 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.46 -38.61 29.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.427 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.0 mmt180 -62.86 -53.48 53.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.5 mt -45.44 -48.4 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.192 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.464 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.7 mt-30 -48.19 -50.98 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.923 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.2 t -60.53 -62.37 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.175 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.559 ' CD1' HD13 ' A' ' 22' ' ' LEU . 12.9 t90 -40.63 -42.35 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -73.56 -44.95 56.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.1 t -50.37 -51.31 47.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -69.2 -25.04 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.517 ' NH2' ' CE2' ' A' ' 54' ' ' TRP . 10.8 tpp180 -69.75 -49.09 56.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -47.61 -45.31 27.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.45 97.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -69.47 -27.09 64.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -81.74 -45.33 15.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -65.39 -35.71 81.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -74.88 -39.85 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 67' ' ' LYS . 8.1 mt-10 -70.92 -57.81 4.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' GLU . 3.7 tt0 -35.35 -31.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 65' ' ' GLU . 8.1 tmtm? -81.16 -52.13 7.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 mt -54.53 -34.53 61.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -58.53 -22.83 56.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -81.92 -20.47 38.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -75.55 -0.54 20.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.976 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -108.37 -0.05 20.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.3 ttt85 -48.8 134.58 16.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -44.05 152.52 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -145.68 148.12 32.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.61 169.35 2.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.558 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -9.51 26.28 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.591 2.194 . . . . 0.0 112.376 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.8 m -55.42 89.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.0 m -133.64 170.39 15.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 m -55.72 121.81 9.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -92.77 -49.36 6.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.37 -170.36 1.81 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.557 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -101.4 155.45 18.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.858 0.361 . . . . 0.0 110.845 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 m -133.86 130.06 37.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.801 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.25 116.92 3.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.499 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -95.54 -50.71 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.953 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -165.7 131.89 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -136.79 161.94 34.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -104.31 163.03 12.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.7 m -109.1 -50.06 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.504 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 3.2 m 65.91 38.4 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.504 ' CG ' ' O ' ' A' ' 13' ' ' SER . 75.6 m-85 -161.21 165.84 28.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.3 p -108.78 162.24 14.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.14 -32.31 68.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.8 -26.88 66.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 84.2 mt-30 -91.97 -38.56 12.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.4 mt -61.01 -32.98 54.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.12 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 7.9 pt-20 -64.79 -42.56 94.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.459 ' HB1' ' CG2' ' A' ' 44' ' ' ILE . . . -78.71 -31.11 46.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.47 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 12.2 mt -75.22 -24.29 57.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -81.95 -44.32 16.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -58.94 -47.51 84.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -60.43 -36.21 77.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.558 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 14.8 t80 -68.94 -42.26 76.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.87 -31.43 59.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -87.58 -45.0 10.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.4 t -145.68 125.36 13.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -76.5 -13.66 60.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -125.73 82.59 63.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.684 0.754 . . . . 0.0 110.957 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.416 ' HD3' ' CD2' ' A' ' 55' ' ' PHE . 54.0 Cg_endo -69.77 98.86 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.66 2.24 . . . . 0.0 112.33 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -54.57 176.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -51.42 -38.95 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -66.97 -21.43 65.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.07 -46.29 7.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.501 ' NH1' ' CD ' ' A' ' 52' ' ' GLN . 33.3 mtm180 -62.26 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -61.55 -59.28 5.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -51.79 -46.62 64.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 tp -65.85 -41.9 91.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.76 -37.91 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.25 -18.15 30.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -76.94 -34.86 57.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.471 ' CD1' HD13 ' A' ' 46' ' ' LEU . 4.8 pt -116.59 5.05 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.185 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 t70 56.37 54.11 7.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 44' ' ' ILE . 18.0 mt -131.57 149.64 74.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.731 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.469 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.0 Cg_endo -69.75 135.02 29.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.45 ' OE2' ' NH2' ' A' ' 37' ' ' ARG . 8.7 tt0 -44.93 -28.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.45 -38.9 78.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.469 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.3 mmt180 -64.28 -54.95 25.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 37' ' ' ARG . 40.5 mt -40.95 -46.36 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.501 ' CD ' ' NH1' ' A' ' 37' ' ' ARG . 12.9 mt-30 -48.26 -59.79 3.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.2 t -52.62 -60.99 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.42 ' CH2' ' HD3' ' A' ' 58' ' ' ARG . 8.9 t90 -40.21 -44.18 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.416 ' CD2' ' HD3' ' A' ' 32' ' ' PRO . 12.4 m-85 -75.29 -37.81 60.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.6 t -55.37 -55.3 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -62.88 -40.22 96.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.558 ' HG2' ' CD2' ' A' ' 26' ' ' PHE . 7.5 tpt180 -50.94 -54.28 25.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -41.51 -41.95 2.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.98 -45.21 82.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 31.6 tttm -65.59 -33.29 75.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.452 ' CZ2' ' HG2' ' A' ' 66' ' ' GLU . 88.7 t90 -76.02 -52.78 9.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 -56.07 -46.19 79.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.423 ' CG ' ' N ' ' A' ' 65' ' ' GLU . 12.5 ptp180 -62.49 -43.58 98.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 61' ' ' LYS . 4.9 mm-40 -63.67 -59.94 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.452 ' HG2' ' CZ2' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -46.79 -30.18 2.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -67.54 -53.43 28.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.5 mt -49.17 -26.34 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -79.12 -50.94 10.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -55.82 -38.38 69.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 17.9 pt20 -69.13 -40.34 78.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.464 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -68.45 -31.81 71.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -53.77 150.56 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -114.68 101.0 8.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.7 p -159.67 130.3 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.3 -95.02 0.24 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.429 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 127.29 14.39 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.627 2.218 . . . . 0.0 112.389 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.8 p -44.92 107.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.9 t -40.68 129.36 2.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.778 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.57 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -114.6 -50.13 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.912 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 m -90.85 112.02 23.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.49 -160.87 27.04 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.522 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 p -63.6 176.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.875 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 p -84.56 -47.22 10.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.91 -139.33 5.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -83.52 108.47 16.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 110.932 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -64.5 138.04 58.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.401 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 7.8 t-20 -85.32 37.48 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -164.42 145.0 7.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.453 ' O ' ' CG2' ' A' ' 12' ' ' THR . 11.1 t -94.67 71.14 3.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.109 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 p -41.22 -40.07 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -125.21 160.48 29.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.9 p -105.43 151.53 24.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -51.45 -29.91 17.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -69.01 -29.02 67.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.463 ' NE2' ' HG ' ' A' ' 46' ' ' LEU . 95.8 mt-30 -90.44 -37.07 14.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.2 mt -60.48 -33.97 56.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.06 -43.08 99.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.402 ' CB ' ' CG2' ' A' ' 44' ' ' ILE . . . -78.73 -31.91 46.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' ' 54' ' ' TRP . 13.8 mt -72.19 -22.76 61.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -83.29 -48.4 10.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -53.87 -48.49 69.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.423 ' OE2' ' CG2' ' A' ' 29' ' ' THR . 9.1 tp10 -57.5 -36.58 71.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.437 ' CE1' ' CD2' ' A' ' 30' ' ' HIS . 6.7 t80 -66.53 -44.49 82.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -52.35 -35.22 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -81.36 -47.06 13.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.423 ' CG2' ' OE2' ' A' ' 25' ' ' GLU . 4.2 t -144.1 121.65 11.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.437 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 23.8 m170 -70.4 -13.11 62.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -133.06 81.5 57.08 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.657 0.741 . . . . 0.0 110.872 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.558 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.8 Cg_endo -69.75 102.16 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -55.09 179.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.0 p -54.87 -37.45 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.5 -22.79 67.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.24 -52.21 4.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.449 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 54.0 mtm-85 -59.08 -38.86 80.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.89 -57.66 9.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -55.43 -43.94 75.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 43' ' ' LYS . 2.5 tp -67.22 -37.76 84.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.41 -38.76 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.09 -14.54 29.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 40' ' ' LEU . 31.5 tttp -77.81 -32.13 52.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.468 ' CD1' HD12 ' A' ' 46' ' ' LEU . 14.7 pt -118.51 -3.51 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 t70 66.88 52.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' A' ' 44' ' ' ILE . 18.2 mt -134.49 149.41 70.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.597 0.713 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.73 134.77 28.85 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -45.33 -26.97 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.69 -42.32 70.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.037 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.444 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 8.9 mmt85 -60.91 -55.35 34.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.1 mt -42.6 -45.46 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 6.2 mt-30 -51.42 -53.95 31.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.21 -59.67 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.456 ' CD1' HD12 ' A' ' 22' ' ' LEU . 16.5 t90 -43.14 -44.71 5.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.558 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.4 m-85 -70.51 -41.24 72.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.0 t -53.67 -57.78 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -57.41 -37.52 72.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.4 tpt85 -54.72 -52.52 62.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -42.93 -43.02 3.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.48 -38.14 88.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.051 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -72.93 -27.68 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -81.15 -51.11 8.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -58.99 -38.56 79.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -68.85 -41.26 78.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -68.93 -58.14 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -40.65 -38.02 0.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.8 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -65.17 -46.95 78.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.0 mt -53.86 -30.63 46.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.6 mmm-85 -60.89 -45.2 95.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -62.94 -25.73 68.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -73.91 -28.91 61.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -105.43 17.71 23.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -45.11 158.22 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 46.96 41.84 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.6 t -63.8 -47.59 80.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -129.88 143.67 14.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 86.11 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.701 2.267 . . . . 0.0 112.36 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.6 p -129.96 163.03 27.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.9 t -54.83 128.25 32.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -133.42 156.2 48.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.855 0.36 . . . . 0.0 110.914 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 m -114.54 170.9 7.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.36 103.49 1.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.447 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -122.2 120.88 35.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m 48.22 42.25 17.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.8 100.7 2.69 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.528 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 9' ' ' ARG . 26.3 mt-30 -59.85 167.4 2.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.342 . . . . 0.0 110.913 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' GLN . 7.5 ptm180 -36.88 143.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -104.28 166.43 10.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.79 126.57 46.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.4 p -93.85 121.3 35.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.1 m -87.42 -50.18 6.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -51.16 173.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 p -120.7 155.19 34.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -52.08 -30.29 25.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.45 -30.19 69.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.4 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 90.5 mt-30 -91.41 -40.54 11.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.7 mt -57.96 -35.1 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -62.02 -44.36 96.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' HB1' ' CG2' ' A' ' 44' ' ' ILE . . . -77.14 -32.88 56.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mt -71.91 -25.49 61.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -83.14 -43.98 15.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -59.0 -29.42 67.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -81.81 -24.5 35.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -81.84 -37.7 26.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -62.53 -16.58 56.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.3 tpp85 -101.17 -41.68 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.1 t -147.98 128.38 13.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -78.03 -15.46 58.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -132.93 80.47 60.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.664 0.745 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.501 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.4 Cg_endo -69.79 106.7 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.299 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -48.18 176.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.2 p -57.82 -33.44 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -68.11 -17.83 64.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.33 -54.26 3.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 26.1 mtt-85 -57.43 -35.06 69.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' CG ' ' OE1' ' A' ' 48' ' ' GLU . 30.1 mt-10 -67.21 -55.1 15.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mmt-85 -57.73 -41.12 81.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 43' ' ' LYS . 2.8 tp -69.6 -47.48 63.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 46' ' ' LEU . . . -41.66 -36.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.97 -22.33 21.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 40' ' ' LEU . 24.3 ttpt -72.05 -34.15 68.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.46 ' CD1' HD13 ' A' ' 46' ' ' LEU . 2.7 pt -112.4 -1.84 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.172 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.5 t0 70.62 35.4 1.88 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 20.2 mt -117.04 148.01 41.37 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.642 0.734 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.454 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.78 142.42 47.82 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.363 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.445 ' OE1' ' CG ' ' A' ' 38' ' ' GLU . 4.3 tt0 -54.63 -14.64 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.2 -31.57 23.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.454 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 11.3 mmt180 -70.41 -49.74 45.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.7 mt -48.13 -54.56 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.47 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.8 mt-30 -43.0 -43.88 4.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.71 -60.15 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 41.6 t90 -44.76 -29.9 0.86 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.501 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 9.2 m-85 -83.2 -39.99 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.5 t -55.48 -54.57 42.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -58.44 -37.3 75.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 10.2 mmt180 -59.04 -52.03 67.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -45.19 -41.73 8.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.26 -35.22 75.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -76.07 -28.52 57.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -83.93 -43.84 14.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -66.27 -36.88 84.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.9 ptt85 -73.95 -39.65 63.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 66' ' ' GLU . 11.7 mt-10 -68.5 -52.62 30.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 65' ' ' GLU . 1.3 tm-20 -35.4 -36.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 65' ' ' GLU . 4.0 mtmp? -79.6 -55.65 4.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.2 mt -48.84 -30.63 6.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -67.1 -46.6 73.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -59.02 -34.47 71.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -54.5 -45.17 73.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -67.97 -30.35 69.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -56.68 153.18 10.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 38.62 42.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.8 m -39.81 -50.89 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.37 -158.06 30.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.49 28.67 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.625 2.216 . . . . 0.0 112.316 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.2 t -72.95 -48.56 35.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.7 t -69.8 -53.56 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.554 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -49.3 -58.95 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.816 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.6 p -65.67 156.97 31.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.97 -116.48 0.76 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p 42.48 42.01 2.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 t -62.67 -61.86 2.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.82 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.44 159.47 19.84 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.448 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -146.32 159.03 43.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.311 . . . . 0.0 110.943 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.4 ptt-85 -128.84 159.88 34.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -108.29 82.15 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -89.86 147.65 23.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 p -118.05 140.79 49.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.0 m -111.27 -49.86 2.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.471 ' CE1' ' HD2' ' A' ' 50' ' ' ARG . 87.0 m-85 -74.19 170.8 14.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.9 p -113.48 151.28 31.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.47 -26.89 9.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -72.75 -29.97 63.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -89.87 -33.08 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.3 mt -63.36 -40.12 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.09 -45.23 83.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . . . -73.55 -30.65 63.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.069 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.8 mt -74.69 -33.32 62.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -75.52 -47.64 26.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -56.35 -39.61 73.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.966 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -69.76 -30.49 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -73.86 -40.8 62.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -57.18 -30.09 64.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -87.39 -48.71 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.7 t -139.45 123.39 17.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -76.11 -11.62 59.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -132.97 81.8 56.73 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.683 0.754 . . . . 0.0 110.952 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.474 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.5 Cg_endo -69.77 106.88 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.29 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.2 -178.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.8 p -56.35 -35.35 43.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -68.31 -21.48 64.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.01 -49.59 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.455 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 53.8 mtm-85 -60.92 -41.67 96.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.81 -57.53 10.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -54.51 -45.24 73.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.6 -38.34 86.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.43 -40.51 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.45 -17.21 30.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -73.41 -30.21 63.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.423 ' CG2' ' HB2' ' A' ' 21' ' ' ALA . 3.1 pt -123.08 3.38 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 60.58 48.89 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.415 HD13 ' CD1' ' A' ' 44' ' ' ILE . 16.3 mt -127.0 150.73 72.78 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.601 0.715 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.458 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.1 Cg_endo -69.79 134.58 28.26 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.672 2.248 . . . . 0.0 112.375 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 17.2 tt0 -47.9 -20.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.58 -39.01 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.471 ' HD2' ' CE1' ' A' ' 14' ' ' PHE . 10.5 mmt180 -62.69 -52.83 61.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.7 mt -46.75 -48.61 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.455 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 2.6 mt-30 -48.65 -49.14 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' SER . 21.6 t -64.28 -64.79 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.553 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 48.5 t90 -38.28 -37.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.474 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.4 m-85 -77.45 -40.52 42.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 53' ' ' VAL . 14.6 t -56.97 -54.55 45.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -57.52 -39.58 76.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.553 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 7.7 mmt-85 -55.42 -53.72 52.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -40.54 -40.23 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.82 -36.79 75.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 58' ' ' ARG . 40.2 tttm -74.34 -23.27 59.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -89.34 -45.04 9.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -64.45 -22.3 66.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -87.36 -37.78 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -75.0 -49.46 19.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -43.03 -29.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.43 -49.84 10.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 mt -54.72 -46.04 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -55.76 -41.6 74.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' OD1' ' C ' ' A' ' 70' ' ' ASN . 0.8 OUTLIER -57.35 -33.25 67.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -59.87 -15.18 19.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -108.53 23.71 14.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.5 tpt85 -121.82 156.94 32.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 51.74 49.87 19.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.3 t -69.9 158.71 35.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.32 167.43 12.12 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 146.6 60.58 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -48.74 156.49 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.844 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 t -39.23 154.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.542 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -97.53 -49.66 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 0.0 110.862 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m 52.3 42.14 30.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.42 97.91 0.51 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m 62.41 41.39 10.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -56.54 -58.81 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.16 -161.26 28.74 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -140.37 138.47 34.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.761 0.315 . . . . 0.0 110.929 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.1 mtp85 -95.32 153.86 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -116.91 -57.28 2.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -92.04 89.69 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.4 p -56.1 116.21 2.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.9 m -49.8 -54.05 21.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -79.33 170.25 16.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.0 p -116.24 153.05 32.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -49.33 -37.27 23.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -60.33 -28.6 68.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -92.01 -47.2 7.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.5 mt -53.32 -35.58 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -62.92 -43.72 98.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.6 -29.24 45.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.439 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 11.9 mt -75.71 -25.26 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.69 -40.7 22.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -60.21 -38.15 82.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -70.05 -29.34 66.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -76.26 -39.97 53.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -56.9 -29.99 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.834 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -89.82 -46.65 8.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.2 t -143.68 127.92 17.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.075 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -77.4 -12.69 59.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -131.61 80.9 65.55 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.629 0.728 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 55' ' ' PHE . 53.7 Cg_endo -69.86 99.12 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.743 2.296 . . . . 0.0 112.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -48.74 175.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.51 -38.21 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -63.22 -22.42 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.77 -48.45 6.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.451 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 55.8 mtm-85 -60.4 -37.5 81.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.72 -56.57 11.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -55.32 -42.7 74.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.2 -39.03 75.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.12 -37.09 9.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.53 -16.46 27.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -75.53 -38.04 59.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.461 ' CD1' HD13 ' A' ' 46' ' ' LEU . 4.2 pt -112.56 3.57 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.211 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t70 60.99 50.07 5.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 44' ' ' ILE . 15.9 mt -128.29 150.12 73.25 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.547 0.689 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.454 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.5 Cg_endo -69.73 135.08 29.62 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.667 2.245 . . . . 0.0 112.413 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -48.91 -19.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.39 -39.74 38.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.142 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.454 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.0 mmt180 -61.58 -52.81 62.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.1 mt -45.94 -49.09 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.451 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -50.39 -40.53 50.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.6 t -72.31 -62.43 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.563 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 69.9 t90 -41.12 -37.62 0.91 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.447 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 11.4 m-85 -76.41 -39.72 52.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 t -56.44 -50.36 71.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -64.95 -31.84 73.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.563 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 30.0 mmt-85 -62.95 -53.28 56.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -44.92 -42.45 8.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.18 -30.45 70.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -82.97 -19.07 37.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -90.75 -41.61 11.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.5 mtp85 -71.79 -22.68 61.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -87.11 -37.88 16.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.458 ' HA ' ' CD1' ' A' ' 68' ' ' LEU . 17.3 mt-10 -73.7 -47.77 37.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.09 -34.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -81.08 -42.52 20.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 65' ' ' GLU . 11.4 mt -59.11 -36.11 74.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.2 mtt85 -75.37 -44.44 44.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -63.36 -50.49 69.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -54.31 -27.88 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' ARG . 27.9 ttp85 -66.83 -30.79 71.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' ARG . 22.2 ptt180 -37.16 138.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -127.43 163.29 24.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 77.7 p -64.63 -49.89 69.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -173.86 -83.52 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 118.63 5.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.4 m -66.24 149.97 49.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.808 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -81.57 -59.96 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.498 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -101.84 97.19 7.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 110.892 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -88.29 -62.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.96 126.62 0.38 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.52 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 m -58.59 161.89 4.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.876 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -62.73 -47.49 83.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.74 86.64 0.23 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.437 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -160.04 158.56 30.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -115.21 112.63 22.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -116.13 99.21 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -69.66 148.21 49.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.4 t -83.8 141.96 31.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.8 m -108.57 -49.72 3.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.812 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -56.49 169.82 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.0 p -114.73 151.35 33.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -51.67 -25.51 7.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -73.98 -29.17 61.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.468 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 95.8 mt-30 -90.33 -38.19 13.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 mt -58.0 -47.17 87.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -49.58 -45.38 47.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.446 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -74.71 -33.27 62.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.2 mt -71.98 -26.86 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -82.57 -38.62 23.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -66.27 -29.8 70.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -79.7 -23.07 42.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 18.2 t80 -83.42 -39.77 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -58.4 -22.07 52.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -97.16 -36.93 10.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 t -155.14 130.48 9.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -81.14 -14.67 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -127.28 79.79 72.65 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.737 0.779 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.551 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.78 99.22 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -48.97 174.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.52 -34.88 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.225 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -68.13 -18.14 64.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.85 -51.34 4.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.044 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.432 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 55.4 mtm-85 -60.74 -39.33 88.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -63.4 -57.49 10.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.0 mmt-85 -56.04 -44.75 79.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.3 tp -66.48 -40.99 89.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.39 -35.11 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.7 -16.7 28.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -77.56 -31.21 53.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.468 ' CG2' ' HA ' ' A' ' 18' ' ' GLN . 3.0 pt -120.06 6.18 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 58.04 49.16 12.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.408 ' HG ' ' NE2' ' A' ' 18' ' ' GLN . 17.3 mt -127.07 149.25 68.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.642 0.734 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.436 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.72 139.61 40.76 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.645 2.23 . . . . 0.0 112.414 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 6.4 tt0 -52.74 -16.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.48 -37.92 27.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.436 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.9 mmt180 -63.39 -52.93 59.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.444 HG22 ' CD1' ' A' ' 55' ' ' PHE . 28.0 mt -46.69 -46.99 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.432 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -51.04 -45.57 61.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 t -69.11 -55.04 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.52 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 30.9 t90 -49.36 -32.86 12.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.551 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.6 m-85 -80.98 -37.29 29.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.5 t -57.95 -52.45 65.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.765 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -58.7 -31.94 68.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.52 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 5.9 mmm180 -64.61 -52.8 55.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -46.75 -39.54 11.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.39 -33.74 69.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -78.4 -24.68 46.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.421 ' CZ2' ' HG3' ' A' ' 66' ' ' GLU . 85.2 t90 -88.91 -44.79 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.3 mtp85 -65.14 -22.27 66.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.2 ptt85 -86.55 -38.16 17.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -75.95 -49.91 16.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.421 ' HG3' ' CZ2' ' A' ' 62' ' ' TRP . 13.3 mm-40 -39.46 -34.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 70' ' ' ASN . 2.6 mptm? -77.15 -47.59 19.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.5 mt -42.22 -35.78 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -72.11 -38.53 69.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.517 ' ND2' ' C ' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -68.48 -22.92 64.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -71.2 -5.9 35.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.1 ttt-85 -111.64 20.2 17.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 60.22 39.26 19.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -117.45 100.82 7.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.1 t 58.41 36.83 25.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.75 83.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 139.67 40.76 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.8 m -122.02 168.61 11.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.4 p -108.47 162.14 14.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 p -161.11 165.05 30.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t 66.17 42.25 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.49 80.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.516 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -128.72 84.16 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.816 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -48.15 -56.18 8.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.21 149.27 25.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -67.09 81.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 9' ' ' ARG . 26.1 mtm105 -82.23 41.44 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -132.52 81.43 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -97.74 94.14 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 t -120.08 -7.87 9.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.531 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 1.8 p -70.72 -15.61 62.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.531 ' CG ' ' O ' ' A' ' 13' ' ' SER . 37.4 m-85 -161.19 161.64 30.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.2 t -115.51 153.21 31.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.187 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -45.85 -39.28 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -57.84 -35.69 71.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.415 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 84.6 mt-30 -87.18 -38.37 16.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.8 mt -59.15 -35.17 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 6.1 pt-20 -63.79 -38.59 91.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 20' ' ' GLU . . . -80.8 -27.96 36.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mt -77.6 -29.89 52.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.46 -46.69 25.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -57.58 -37.02 72.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -68.12 -30.09 69.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.476 ' CE1' ' CD2' ' A' ' 30' ' ' HIS . 5.7 t80 -77.69 -38.12 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -55.73 -28.7 57.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -91.3 -45.31 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.9 t -141.53 123.12 15.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.476 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 24.0 m170 -74.43 -13.15 60.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -134.46 82.62 45.52 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.628 0.728 . . . . 0.0 110.971 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.558 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.3 Cg_endo -69.74 109.49 2.32 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.686 2.258 . . . . 0.0 112.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -60.97 -174.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.88 -37.46 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -66.65 -20.6 66.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.63 -52.54 4.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.458 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 43.3 mtm-85 -56.25 -36.78 68.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -66.63 -56.75 9.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -53.98 -43.39 69.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.809 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.13 -39.15 75.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.24 -36.85 6.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.7 -16.69 26.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -74.36 -26.49 60.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.415 ' CG2' ' HA ' ' A' ' 18' ' ' GLN . 2.8 pt -125.61 -3.06 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.207 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.3 t0 70.48 41.33 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.3 mt -119.26 147.0 42.07 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.596 0.712 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.461 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.1 Cg_endo -69.8 134.72 28.58 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.243 . . . . 0.0 112.355 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 6.9 tt0 -46.25 -20.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 47' ' ' PRO . . . -77.34 -38.4 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.461 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.7 mmt180 -62.68 -55.95 22.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.541 HG23 ' CD1' ' A' ' 55' ' ' PHE . 44.0 mt -43.81 -47.15 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.458 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -48.98 -46.84 44.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.53 -61.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.563 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 68.6 t90 -43.44 -42.91 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.558 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.9 m-85 -70.28 -35.82 73.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.2 t -61.69 -44.6 96.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -65.32 -34.73 79.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.563 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 19.4 mmt-85 -60.64 -49.72 76.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -46.2 -42.8 14.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.29 -31.24 70.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.082 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -81.32 -25.24 36.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -86.17 -45.34 11.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.9 mtp85 -63.87 -42.97 97.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 65' ' ' GLU . 29.9 ptt85 -65.41 -42.6 92.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.405 ' N ' ' CG ' ' A' ' 64' ' ' ARG . 10.5 mt-10 -67.99 -48.43 65.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.93 -34.79 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 70' ' ' ASN . 0.7 OUTLIER -74.04 -58.17 3.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' LYS . 37.1 mt -37.43 -35.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.0 mtt85 -77.18 -42.68 36.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 67' ' ' LYS . 22.5 t-20 -53.32 -30.55 39.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -70.27 -31.52 68.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -33.45 69.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 74' ' ' GLN . 10.6 tpp180 -50.48 136.15 21.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' ARG . 53.8 mt-30 36.71 43.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.8 p -90.37 -178.18 5.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.59 157.93 52.12 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.435 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -34.34 15.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.3 p -50.29 105.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.5 m -126.49 106.13 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.475 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.4 p -66.16 91.49 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.3 p -78.21 171.34 15.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.46 68.38 0.31 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.415 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 m -85.51 96.41 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -112.96 137.12 51.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.14 97.94 2.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -115.2 98.97 7.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.337 . . . . 0.0 110.935 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -164.5 157.15 16.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -115.27 130.0 56.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -129.48 96.97 4.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.5 p -83.0 45.28 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 m -58.43 -47.14 84.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -63.21 166.84 5.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.3 p -113.21 154.3 26.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -51.98 -30.59 25.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.11 -26.06 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.446 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 91.6 mt-30 -94.38 -34.25 12.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.7 -32.63 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -63.78 -43.79 95.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.47 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . . . -78.21 -31.53 49.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.1 mt -72.17 -22.87 61.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -83.25 -46.77 12.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -54.6 -39.9 68.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -69.37 -28.92 66.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.405 ' CE1' ' CD2' ' A' ' 30' ' ' HIS . 5.4 t80 -77.04 -40.38 46.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -56.59 -29.93 62.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -89.72 -46.14 8.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -144.72 127.11 15.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.405 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 21.1 m170 -76.56 -12.57 60.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -133.32 80.62 57.9 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.649 0.738 . . . . 0.0 110.937 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.407 ' HG3' ' CZ ' ' A' ' 55' ' ' PHE . 53.3 Cg_endo -69.82 108.23 2.04 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.292 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -54.6 -175.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.49 -40.67 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.064 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -62.63 -22.29 66.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.39 -53.72 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.067 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 51.9 mtm-85 -61.07 -39.96 91.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.71 -53.25 57.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -61.47 -42.79 99.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.6 -38.08 83.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.08 -35.35 6.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.092 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.64 -17.91 26.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -74.0 -30.51 62.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 21' ' ' ALA . 2.2 pt -122.47 3.12 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 t0 60.82 47.48 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 44' ' ' ILE . 17.8 mt -124.34 150.13 63.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.49 0.662 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.466 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.1 Cg_endo -69.79 135.69 31.03 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -47.89 -20.42 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.77 -40.68 40.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.466 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 8.9 mmt-85 -60.31 -52.96 63.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 28.5 mt -46.1 -50.12 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.46 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -48.95 -43.88 40.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.2 t -67.6 -62.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.548 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 75.0 t90 -40.74 -43.67 2.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.407 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 11.3 m-85 -69.34 -42.94 74.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.2 t -53.95 -52.14 61.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -61.46 -40.88 96.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.548 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 13.2 mmt-85 -52.6 -54.98 25.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -40.34 -41.35 1.35 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.58 -41.08 96.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' ARG . 13.0 ttpt -73.18 -33.69 65.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -73.52 -42.94 61.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 -70.61 -28.36 64.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -85.64 -36.77 20.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 68' ' ' LEU . 24.4 mt-10 -71.76 -48.39 47.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.842 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -36.86 -34.92 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -79.42 -46.13 18.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 65' ' ' GLU . 21.3 mt -59.41 -34.81 72.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -32.35 72.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -75.66 -6.0 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -85.34 -11.46 54.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.8 14.65 22.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? 60.33 42.9 14.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -92.38 -49.1 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -114.31 151.15 33.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.69 146.41 2.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 171.15 14.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.644 2.229 . . . . 0.0 112.39 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.9 t -174.94 139.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.1 p 45.1 42.97 7.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.464 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.711 0.291 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -46.8 -36.68 7.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.23 -34.25 77.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 95.7 mt-30 -85.01 -34.65 22.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 64.8 mt -64.9 -45.95 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.169 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -50.88 -43.32 59.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.658 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -76.11 -31.45 58.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mt -73.89 -28.17 61.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -80.5 -35.28 34.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -67.07 -31.95 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -81.63 -24.28 36.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 5.2 t80 -80.35 -40.98 25.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -56.76 -24.56 50.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -94.08 -51.14 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -136.06 126.06 26.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -77.55 -13.44 59.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -134.19 80.6 52.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.687 0.756 . . . . 0.0 110.95 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.515 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.6 Cg_endo -69.69 107.93 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -52.41 179.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.7 p -57.69 -34.54 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -67.06 -21.36 65.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -93.43 -50.55 5.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.48 ' HG2' HG21 ' A' ' 51' ' ' ILE . 35.6 mtm-85 -60.11 -37.5 80.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -67.54 -55.64 12.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.3 mtt-85 -55.34 -42.55 74.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 tp -69.41 -36.91 77.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.58 -37.74 5.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.53 -18.76 24.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -73.22 -30.78 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.783 HD12 HD12 ' A' ' 46' ' ' LEU . 3.7 pt -123.0 5.02 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.48 52.98 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.783 HD12 HD12 ' A' ' 44' ' ' ILE . 18.5 mt -130.69 149.08 72.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.681 0.753 . . . . 0.0 110.839 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.49 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.4 Cg_endo -69.76 134.65 28.5 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -46.23 -21.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 47' ' ' PRO . . . -77.45 -40.62 42.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.49 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 11.6 mmt-85 -60.73 -52.44 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.48 HG21 ' HG2' ' A' ' 37' ' ' ARG . 33.8 mt -47.11 -47.77 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.45 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.2 mt-30 -50.67 -46.35 58.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.93 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 68.9 t90 -43.0 -43.25 4.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.515 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.9 m-85 -70.58 -36.16 73.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.8 t -59.98 -58.2 9.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -56.26 -36.23 68.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 17.2 mmt-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.0 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.817 0.341 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -49.01 -38.72 24.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.68 -30.4 68.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -90.09 -43.71 10.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.6 mt -54.31 -37.63 37.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 8.8 pt-20 -63.15 -40.53 97.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.701 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -77.59 -28.16 51.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.527 HD13 ' CD1' ' A' ' 54' ' ' TRP . 9.9 mt -79.26 -32.39 43.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -72.87 -43.56 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -60.22 -38.56 83.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -68.56 -30.68 69.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 5.1 t80 -73.05 -45.46 57.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.77 -34.45 39.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -83.78 -43.64 15.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.1 t -149.34 126.13 11.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -14.5 60.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -130.78 80.64 69.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.665 0.745 . . . . 0.0 110.957 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.3 Cg_endo -69.73 102.72 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -51.52 179.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 p -55.98 -35.98 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -66.44 -18.8 65.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -94.74 -52.93 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.65 ' HG2' HG21 ' A' ' 51' ' ' ILE . 63.0 mtm-85 -59.2 -36.54 75.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -65.76 -53.47 40.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -59.48 -41.79 90.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.865 HD12 ' HE2' ' A' ' 43' ' ' LYS . 1.7 tp -69.81 -41.91 74.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -45.12 -37.33 4.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.89 -15.33 28.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.865 ' HE2' HD12 ' A' ' 40' ' ' LEU . 22.7 ttpt -76.89 -33.04 57.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.715 HD12 HD12 ' A' ' 46' ' ' LEU . 2.0 pt -119.02 0.32 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 66.24 49.44 1.49 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.715 HD12 HD12 ' A' ' 44' ' ' ILE . 27.1 mt -127.57 147.76 63.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.489 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.79 135.16 29.68 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.73 2.287 . . . . 0.0 112.347 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -45.61 -25.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.88 -41.52 64.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.489 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.7 mmt-85 -60.28 -54.76 41.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.65 HG21 ' HG2' ' A' ' 37' ' ' ARG . 37.0 mt -44.1 -46.89 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.443 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.6 mt-30 -51.71 -41.23 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.4 t -70.82 -59.71 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.586 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 22.6 t90 -46.35 -27.1 0.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.457 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.9 m-85 -88.64 -37.51 15.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.7 t -60.06 -37.0 78.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -71.63 -42.87 67.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.586 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 12.3 mmm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.8 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.746 0.308 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.33 -33.28 28.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -65.89 -27.78 68.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.452 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 84.0 mt-30 -92.76 -41.57 10.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.4 mt -56.54 -37.84 53.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 9.9 pt-20 -58.7 -45.88 88.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.682 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -75.96 -33.32 59.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.425 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 14.3 mt -70.54 -25.19 62.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -83.15 -49.29 9.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -54.7 -41.71 70.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.641 ' OE2' HG22 ' A' ' 29' ' ' THR . 10.6 tp10 -63.05 -31.1 72.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 3.4 t80 -72.81 -43.04 63.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -54.73 -30.36 55.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -88.13 -44.59 10.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.641 HG22 ' OE2' ' A' ' 25' ' ' GLU . 6.7 t -146.68 125.13 12.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.34 -15.89 60.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -134.04 80.96 52.61 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.662 0.744 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 106.08 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -52.31 178.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.2 p -55.48 -39.13 52.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -63.54 -21.93 66.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.02 -49.63 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.486 ' HG2' HG21 ' A' ' 51' ' ' ILE . 50.2 mtm-85 -59.48 -36.33 75.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -67.13 -54.04 25.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -56.51 -43.05 79.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tp -69.4 -36.93 77.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.69 -37.0 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.03 -16.7 26.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -73.92 -28.32 61.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.741 HD12 HD12 ' A' ' 46' ' ' LEU . 3.4 pt -124.77 0.68 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 t70 64.24 50.22 2.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.741 HD12 HD12 ' A' ' 44' ' ' ILE . 17.3 mt -128.35 149.32 71.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.5 Cg_endo -69.86 138.35 37.28 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.614 2.21 . . . . 0.0 112.294 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -50.46 -18.58 0.68 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.86 -37.11 35.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.462 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.1 mmt-85 -65.44 -51.16 62.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.486 HG21 ' HG2' ' A' ' 37' ' ' ARG . 60.6 mt -46.09 -50.7 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.471 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.1 mt-30 -49.6 -46.46 49.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.004 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.73 -61.37 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 58.9 t90 -42.41 -45.38 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -68.47 -41.01 80.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.9 t -53.85 -44.78 70.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -64.7 -38.01 89.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 10.5 mmm180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.712 0.291 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -49.02 -21.01 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -80.71 -32.02 35.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.474 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 83.8 mt-30 -88.86 -33.9 17.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.9 mt -63.8 -30.42 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.68 -43.54 75.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.784 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -74.25 -33.44 63.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.0 mt -71.75 -30.21 65.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.37 -38.43 50.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -65.88 -46.52 78.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.17 -36.17 76.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -63.93 -50.69 67.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -47.85 -40.49 21.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -75.47 -39.45 58.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 t -152.94 122.42 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -71.63 -15.04 62.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -133.4 80.63 57.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.719 0.771 . . . . 0.0 110.991 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.421 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.6 Cg_endo -69.66 103.04 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -54.92 -179.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 35' ' ' PHE . 4.9 p -51.93 -42.46 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.401 ' N ' HG13 ' A' ' 34' ' ' VAL . 9.3 m-85 -60.86 -19.92 60.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -94.57 -48.35 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.535 ' HG2' HG21 ' A' ' 51' ' ' ILE . 36.2 mtm-85 -65.11 -32.34 73.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -68.93 -53.48 20.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -61.8 -46.22 90.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 43' ' ' LYS . 3.3 tp -65.12 -42.11 94.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.495 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -44.16 -33.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.05 -19.61 22.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 40' ' ' LEU . 42.1 tttt -75.27 -24.97 57.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.828 HD12 HD12 ' A' ' 46' ' ' LEU . 4.1 pt -125.44 0.53 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.53 47.91 3.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.828 HD12 HD12 ' A' ' 44' ' ' ILE . 23.1 mt -126.28 147.02 58.27 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.588 0.709 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.489 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.8 Cg_endo -69.76 134.75 28.74 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.349 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -46.44 -21.93 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.33 -38.19 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.489 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 8.6 mmt180 -63.52 -56.86 12.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.535 HG21 ' HG2' ' A' ' 37' ' ' ARG . 49.8 mt -42.18 -45.68 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.198 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.46 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 5.2 mt-30 -50.37 -43.38 54.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 56' ' ' SER . 15.3 t -71.52 -65.71 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.571 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 47.8 t90 -38.8 -31.08 0.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.421 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.3 m-85 -85.21 -38.15 19.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 53' ' ' VAL . 5.1 t -56.89 -43.7 81.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -69.05 -37.61 78.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.571 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 11.7 mmt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.749 0.309 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -50.51 -31.97 16.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.87 -28.71 68.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.427 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 92.7 mt-30 -91.33 -39.3 12.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.5 mt -58.9 -36.12 59.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 9.8 pt-20 -62.18 -43.4 98.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.544 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.23 -29.57 48.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.444 ' HG ' HD13 ' A' ' 44' ' ' ILE . 14.1 mt -75.53 -24.94 56.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -80.01 -42.81 23.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -59.8 -35.28 74.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -78.33 -21.26 49.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 9.9 t80 -84.08 -39.76 19.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -60.61 -17.02 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -100.84 -38.89 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 t -152.4 127.11 9.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -78.07 -14.94 59.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -127.69 80.15 72.41 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.737 0.779 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.487 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.9 Cg_endo -69.69 103.28 1.13 Allowed 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.782 2.321 . . . . 0.0 112.369 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.86 176.81 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 p -54.16 -34.4 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -68.03 -19.98 64.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -93.48 -51.96 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.536 ' HG2' HG21 ' A' ' 51' ' ' ILE . 23.6 mtm-85 -60.58 -36.06 77.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.47 -57.77 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -54.81 -47.38 74.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tp -63.63 -42.63 98.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.538 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -45.36 -42.74 10.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.069 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.21 -16.77 45.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -78.67 -35.18 45.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.886 HD12 HD12 ' A' ' 46' ' ' LEU . 2.3 pt -115.94 8.59 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.182 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 t0 57.43 43.26 23.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.886 HD12 HD12 ' A' ' 44' ' ' ILE . 16.7 mt -120.15 145.61 40.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.654 0.74 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.469 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.81 138.65 38.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -50.38 -18.64 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.07 -36.48 35.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.469 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 6.6 mmt-85 -66.67 -54.74 19.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.536 HG21 ' HG2' ' A' ' 37' ' ' ARG . 31.9 mt -43.75 -44.62 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.436 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.4 mt-30 -51.16 -48.57 61.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 56' ' ' SER . 23.9 t -65.19 -62.89 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.555 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 71.1 t90 -40.77 -37.63 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.487 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 9.0 m-85 -78.23 -37.55 45.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' VAL . 33.4 t -59.91 -46.95 87.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -69.32 -35.01 75.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 26.4 mmt-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.75 0.31 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -52.05 -30.48 25.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -66.75 -30.44 70.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 80.6 mt-30 -91.28 -43.05 10.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.1 mt -55.39 -37.86 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -59.02 -43.36 91.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.623 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -77.95 -30.71 50.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.153 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.438 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 7.7 mt -74.07 -22.66 59.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -86.03 -40.47 15.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -60.07 -33.44 72.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -78.36 -25.54 46.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 7.2 t80 -79.37 -42.46 25.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -56.43 -22.73 33.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -96.87 -44.42 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -146.23 129.1 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.182 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -80.02 -14.09 58.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -130.6 80.62 69.68 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.717 0.77 . . . . 0.0 110.939 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.429 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 54.4 Cg_endo -69.83 104.39 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.599 2.199 . . . . 0.0 112.37 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -48.74 176.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.65 -35.99 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -67.34 -18.43 65.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.429 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -93.92 -52.81 4.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.45 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 42.8 mtm-85 -58.62 -35.33 72.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -68.66 -57.39 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -54.16 -43.36 70.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tp -69.42 -37.11 77.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.33 -37.61 5.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.38 -17.01 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -72.23 -27.01 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.653 HD12 HD12 ' A' ' 46' ' ' LEU . 1.2 pt -126.15 -4.0 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.5 t0 70.78 44.85 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.653 HD12 HD12 ' A' ' 44' ' ' ILE . 24.9 mt -123.76 148.33 56.1 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.482 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.0 Cg_endo -69.7 138.57 38.33 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 8.2 tt0 -49.65 -18.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.73 -40.36 29.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.482 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 11.1 mmt85 -61.78 -52.76 62.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.802 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.421 HG21 ' HG2' ' A' ' 37' ' ' ARG . 50.1 mt -46.24 -48.37 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.45 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.0 mt-30 -49.12 -51.11 33.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.2 t -61.39 -60.58 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.558 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 60.8 t90 -43.83 -38.37 3.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -77.02 -33.86 57.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.8 t -64.44 -46.84 81.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -65.97 -43.21 88.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 41.9 mmt-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.1 p . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.715 0.293 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.39 -29.31 23.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.22 -29.53 67.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.441 ' HA ' HG22 ' A' ' 44' ' ' ILE . 93.0 mt-30 -90.86 -37.74 13.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.9 mt -62.14 -28.16 43.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -68.88 -40.73 79.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.708 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.53 -31.99 47.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.454 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 10.5 mt -73.39 -24.93 60.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -80.63 -44.14 19.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -61.37 -28.2 69.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -82.97 -24.92 32.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 11.8 t80 -85.53 -39.22 17.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.11 -26.29 66.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.56 -49.27 6.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.2 t -139.89 123.18 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.23 -12.84 60.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -126.18 80.65 68.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.679 0.752 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.71 95.13 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.95 174.53 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -54.23 -32.56 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -69.98 -17.92 63.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.45 -49.13 5.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.46 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 52.2 mtm-85 -64.33 -38.68 91.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.47 -53.72 38.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -61.53 -43.63 98.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tp -66.48 -38.25 86.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -47.85 -36.84 12.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.144 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.28 -16.75 30.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -76.32 -33.72 59.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.744 HD12 HD12 ' A' ' 46' ' ' LEU . 3.8 pt -118.51 6.83 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 57.17 51.03 10.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.744 HD12 HD12 ' A' ' 44' ' ' ILE . 28.0 mt -130.57 149.24 72.93 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.534 0.683 . . . . 0.0 110.971 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.479 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.83 136.94 34.08 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.729 2.286 . . . . 0.0 112.36 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.457 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 8.0 tt0 -48.38 -19.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.71 -38.6 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.479 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.4 mmt85 -62.57 -53.27 57.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.0 mt -45.8 -49.4 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.46 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.5 mt-30 -47.99 -53.01 17.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.6 t -58.11 -58.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.541 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 56.6 t90 -47.28 -32.48 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 7.2 m-85 -81.06 -39.93 24.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.4 t -54.36 -54.67 37.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -59.54 -36.19 75.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.582 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 8.2 mmm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.793 0.33 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -31.08 33.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -67.76 -30.13 69.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 82.7 mt-30 -90.57 -38.43 13.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.7 mt -60.24 -32.36 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -65.45 -40.98 93.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.649 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -80.66 -29.67 36.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.573 HD13 ' CD1' ' A' ' 54' ' ' TRP . 10.5 mt -75.87 -25.13 55.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.68 -46.64 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -57.46 -43.12 83.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -64.42 -34.38 78.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 14.7 t80 -73.51 -45.35 54.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.4 -31.88 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -86.5 -45.32 11.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.833 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -144.05 124.83 14.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.58 -12.11 60.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.848 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -127.56 83.15 66.82 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.656 0.741 . . . . 0.0 110.913 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.569 ' HD3' ' CD2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.69 96.11 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.69 2.26 . . . . 0.0 112.388 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -51.64 177.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.0 p -53.41 -38.14 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -66.78 -21.77 66.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.08 -45.83 8.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.634 ' HG2' HG21 ' A' ' 51' ' ' ILE . 28.4 mtm180 -63.01 -43.7 98.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.27 -58.7 6.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -52.43 -44.97 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 tp -68.59 -39.63 80.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.72 -37.94 6.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.071 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.07 -20.34 22.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -69.93 -31.89 69.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.865 HD12 HD12 ' A' ' 46' ' ' LEU . 3.0 pt -120.77 -3.83 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 t0 68.55 44.84 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.865 HD12 HD12 ' A' ' 44' ' ' ILE . 17.0 mt -122.05 149.32 53.84 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.57 0.7 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.491 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.76 135.66 31.03 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.658 2.239 . . . . 0.0 112.335 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.452 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 5.1 tt0 -46.0 -29.29 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.69 -39.94 80.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.491 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 8.1 mmt85 -63.0 -55.69 23.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.634 HG21 ' HG2' ' A' ' 37' ' ' ARG . 51.3 mt -41.0 -46.36 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.498 ' CD ' ' NH1' ' A' ' 37' ' ' ARG . 4.9 mt-30 -48.67 -59.12 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -53.19 -60.88 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.573 ' CD1' HD13 ' A' ' 22' ' ' LEU . 9.9 t90 -41.0 -43.56 2.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CD2' ' HD3' ' A' ' 32' ' ' PRO . 12.3 m-85 -75.34 -38.18 60.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.5 t -57.71 -52.36 65.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -66.01 -35.82 81.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.52 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 21.4 tpt85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.2 p . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.789 0.328 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -48.49 -30.41 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -66.86 -32.28 73.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -90.5 -41.66 11.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.4 mt -55.13 -35.9 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -62.45 -44.42 96.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.593 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -76.63 -31.32 57.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.599 HD13 ' CD1' ' A' ' 54' ' ' TRP . 12.2 mt -73.53 -23.61 60.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.484 ' CD ' ' NH2' ' A' ' 58' ' ' ARG . 11.7 mt-10 -83.99 -42.34 16.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -59.42 -36.63 76.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -76.05 -23.69 55.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 52.7 t80 -82.2 -41.07 20.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -60.4 -24.53 65.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -90.78 -40.44 11.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.8 t -150.97 122.17 7.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -71.32 -12.99 61.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -134.22 80.69 52.25 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.731 0.777 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.79 101.79 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.722 2.281 . . . . 0.0 112.353 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -46.78 173.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.7 p -53.82 -33.7 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -68.42 -17.92 64.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -94.08 -53.03 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.462 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 61.0 mtm-85 -56.76 -38.48 72.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -63.6 -57.32 10.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -54.13 -45.49 71.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.65 -38.38 86.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.17 -40.93 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.11 -15.08 34.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -75.0 -31.2 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.634 HD12 HD12 ' A' ' 46' ' ' LEU . 1.5 pt -122.67 2.97 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 t70 62.07 48.17 5.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.634 HD12 HD12 ' A' ' 44' ' ' ILE . 23.6 mt -126.46 149.71 68.42 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.588 0.709 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.481 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.5 Cg_endo -69.74 139.71 40.97 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.771 2.314 . . . . 0.0 112.283 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -51.92 -16.95 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.08 -33.34 29.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.481 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 14.4 mmt-85 -68.44 -51.79 39.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.0 mt -46.25 -50.88 4.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.462 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.3 mt-30 -46.7 -52.57 13.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.3 t -58.89 -55.39 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.599 ' CD1' HD13 ' A' ' 22' ' ' LEU . 12.5 t90 -49.76 -35.84 23.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.0 m-85 -77.14 -38.34 52.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.7 t -54.98 -57.88 9.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -61.51 -33.1 73.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.484 ' NH2' ' CD ' ' A' ' 23' ' ' GLU . 20.7 tpt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.7 p . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.758 0.313 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -48.83 -38.78 23.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -59.65 -30.7 68.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.533 ' HA ' HG22 ' A' ' 44' ' ' ILE . 92.1 mt-30 -89.28 -37.24 15.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.96 -36.06 69.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 8.2 pt-20 -61.88 -40.97 97.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.72 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -82.15 -26.7 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.047 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.556 ' HG ' HD13 ' A' ' 44' ' ' ILE . 15.3 mt -78.0 -25.29 47.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -79.56 -42.36 25.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -59.04 -44.31 91.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.541 ' OE1' HG22 ' A' ' 29' ' ' THR . 8.6 tp10 -63.76 -33.62 76.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 4.6 t80 -71.03 -44.98 64.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -52.48 -36.12 54.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -80.8 -46.59 15.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.541 HG22 ' OE1' ' A' ' 25' ' ' GLU . 8.5 t -145.36 125.17 13.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.26 -15.35 61.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -129.78 81.38 69.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.701 0.762 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.547 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.81 99.48 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -50.04 174.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.4 p -50.94 -39.24 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -61.68 -22.76 65.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.24 -49.78 5.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.479 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 52.8 mtm-85 -59.4 -38.43 80.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.98 -57.07 9.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.34 -44.17 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.824 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.671 HD12 ' HE2' ' A' ' 43' ' ' LYS . 1.4 tp -67.99 -40.04 83.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.44 -34.93 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.03 -17.36 25.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.671 ' HE2' HD12 ' A' ' 40' ' ' LEU . 13.9 ttpt -78.06 -34.57 50.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.887 HD12 HD12 ' A' ' 46' ' ' LEU . 5.1 pt -113.59 -3.3 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 t0 65.29 42.97 3.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.887 HD12 HD12 ' A' ' 44' ' ' ILE . 18.6 mt -122.38 150.28 57.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.61 0.719 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.485 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.2 Cg_endo -69.71 134.64 28.58 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -46.23 -23.42 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.58 -40.55 61.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.485 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.3 mmt180 -62.4 -54.33 41.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.466 HG21 ' HG2' ' A' ' 37' ' ' ARG . 62.1 mt -43.6 -47.04 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.479 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.4 mt-30 -50.64 -52.78 36.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.98 -60.66 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.575 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 62.8 t90 -42.48 -40.02 2.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.547 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.1 m-85 -74.51 -40.42 61.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.3 m -54.93 -56.72 16.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -56.99 -43.14 81.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.575 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 21.2 mmt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.739 0.304 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.11 -36.76 31.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -64.08 -29.06 70.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.473 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 87.7 mt-30 -90.51 -35.55 15.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.64 -27.1 42.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -71.28 -39.96 71.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.611 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -80.63 -28.23 37.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 10.2 mt -76.24 -26.78 56.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -79.78 -44.21 21.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -56.51 -38.45 71.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -70.77 -30.56 67.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -71.31 -47.57 55.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.72 -34.65 39.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -81.64 -47.26 13.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 t -145.06 125.34 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -73.94 -16.33 61.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.772 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -131.78 81.05 64.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.653 0.74 . . . . 0.0 110.959 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.458 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.73 105.41 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -52.7 -179.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.4 p -56.97 -35.08 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -67.12 -19.7 65.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -94.12 -51.21 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.44 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 48.2 mtm-85 -60.41 -31.96 70.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.67 -52.09 23.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -60.74 -42.83 98.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.824 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 tp -68.45 -40.52 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -46.36 -34.01 4.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.12 -17.07 25.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -74.94 -30.1 61.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.611 ' CG2' ' HB3' ' A' ' 21' ' ' ALA . 1.1 pt -122.05 1.1 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.1 t0 63.97 49.68 2.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.583 HD12 HD12 ' A' ' 44' ' ' ILE . 19.4 mt -127.3 150.21 71.86 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.606 0.717 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.67 138.7 38.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.401 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 5.6 tt0 -50.72 -17.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.7 -37.51 30.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.477 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 6.3 mmt-85 -62.45 -55.19 30.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.2 mt -45.02 -49.65 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.44 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.4 mt-30 -46.81 -49.24 20.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 56' ' ' SER . 41.7 t -63.03 -64.5 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.148 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 74.7 t90 -38.23 -44.43 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.997 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -69.79 -42.43 73.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' VAL . 3.8 t -51.93 -52.47 49.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -62.19 -40.05 94.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 36.3 mmt-85 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.766 0.317 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -41.83 -41.05 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -55.96 -39.17 71.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.438 ' NE2' ' HG ' ' A' ' 46' ' ' LEU . 81.8 mt-30 -85.75 -34.42 21.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.62 -37.87 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 7.3 pt-20 -61.97 -40.58 96.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.758 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -79.78 -30.05 40.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 54' ' ' TRP . 10.3 mt -74.96 -27.08 60.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -81.84 -44.49 16.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -58.91 -47.72 84.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.1 -33.24 64.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -72.25 -42.32 65.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -53.18 -29.67 33.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -89.68 -44.77 9.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.1 t -145.22 123.24 12.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.47 -12.98 60.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -134.34 80.95 50.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.718 0.771 . . . . 0.0 110.907 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 100.36 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.653 2.235 . . . . 0.0 112.422 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -48.89 175.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.8 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.1 p -52.76 -38.32 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -63.5 -22.36 66.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.46 -51.27 5.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.467 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 53.7 mtm-85 -60.35 -34.88 74.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.12 -55.61 15.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -57.37 -45.76 84.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.9 -38.45 91.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.45 -35.91 13.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.52 -15.78 32.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -80.52 -40.9 25.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.904 HD12 HD12 ' A' ' 46' ' ' LEU . 11.8 pt -107.74 8.08 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 54.52 50.59 15.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.904 HD12 HD12 ' A' ' 44' ' ' ILE . 17.1 mt -131.59 149.83 74.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.45 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.3 Cg_endo -69.75 139.76 41.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.238 . . . . 0.0 112.354 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -50.8 -18.12 0.68 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.46 -38.61 29.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.45 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.0 mmt180 -62.86 -53.48 53.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.5 mt -45.44 -48.4 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.192 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.467 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.7 mt-30 -48.19 -50.98 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.923 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.2 t -60.53 -62.37 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.175 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.553 ' CD1' HD13 ' A' ' 22' ' ' LEU . 12.9 t90 -40.63 -42.35 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -73.56 -44.95 56.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.1 t -50.37 -51.31 47.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -69.2 -25.04 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.517 ' NH2' ' CE2' ' A' ' 54' ' ' TRP . 10.8 tpp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.3 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.74 0.305 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.14 -32.31 68.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.8 -26.88 66.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.477 ' HA ' HG22 ' A' ' 44' ' ' ILE . 84.2 mt-30 -91.97 -38.56 12.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.4 mt -61.01 -32.98 54.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.12 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 7.9 pt-20 -64.79 -42.56 94.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.788 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.71 -31.11 46.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.877 HD13 ' CD1' ' A' ' 54' ' ' TRP . 12.2 mt -75.22 -24.29 57.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -81.95 -44.32 16.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -58.94 -47.51 84.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.479 ' OE1' HG22 ' A' ' 29' ' ' THR . 8.4 tp10 -60.43 -36.21 77.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 14.8 t80 -68.94 -42.26 76.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.87 -31.43 59.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -87.58 -45.0 10.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.479 HG22 ' OE1' ' A' ' 25' ' ' GLU . 8.4 t -145.68 125.36 13.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.5 -13.66 60.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -125.73 82.59 63.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.684 0.754 . . . . 0.0 110.957 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.433 ' HD3' ' CD2' ' A' ' 55' ' ' PHE . 54.0 Cg_endo -69.77 98.86 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.66 2.24 . . . . 0.0 112.33 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -54.57 176.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -51.42 -38.95 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -66.97 -21.43 65.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.07 -46.29 7.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.643 ' HG2' HG21 ' A' ' 51' ' ' ILE . 33.3 mtm180 -62.26 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -61.55 -59.28 5.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -51.79 -46.62 64.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 tp -65.85 -41.9 91.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.76 -37.91 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.25 -18.15 30.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -76.94 -34.86 57.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.788 ' CG2' ' HB3' ' A' ' 21' ' ' ALA . 4.8 pt -116.59 5.05 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.185 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 t70 56.37 54.11 7.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.715 HD12 HD12 ' A' ' 44' ' ' ILE . 18.0 mt -131.57 149.64 74.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.731 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.493 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.0 Cg_endo -69.75 135.02 29.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.45 ' OE2' ' NH2' ' A' ' 37' ' ' ARG . 8.7 tt0 -44.93 -28.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.45 -38.9 78.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.493 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.3 mmt180 -64.28 -54.95 25.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.643 HG21 ' HG2' ' A' ' 37' ' ' ARG . 40.5 mt -40.95 -46.36 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.501 ' CD ' ' NH1' ' A' ' 37' ' ' ARG . 4.7 mt-30 -48.26 -59.79 3.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.2 t -52.62 -60.99 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.877 ' CD1' HD13 ' A' ' 22' ' ' LEU . 8.9 t90 -40.21 -44.18 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.433 ' CD2' ' HD3' ' A' ' 32' ' ' PRO . 12.4 m-85 -75.29 -37.81 60.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.6 t -55.37 -55.3 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -62.88 -40.22 96.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 26' ' ' PHE . 7.5 tpt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.763 0.316 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -51.45 -29.91 17.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -69.01 -29.02 67.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.46 ' NE2' ' HG ' ' A' ' 46' ' ' LEU . 95.8 mt-30 -90.44 -37.07 14.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.2 mt -60.48 -33.97 56.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.06 -43.08 99.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.724 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.73 -31.91 46.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.588 HD13 ' CD1' ' A' ' 54' ' ' TRP . 13.8 mt -72.19 -22.76 61.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -83.29 -48.4 10.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -53.87 -48.49 69.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.573 ' OE2' HG22 ' A' ' 29' ' ' THR . 9.1 tp10 -57.5 -36.58 71.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -66.53 -44.49 82.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -52.35 -35.22 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -81.36 -47.06 13.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.573 HG22 ' OE2' ' A' ' 25' ' ' GLU . 4.2 t -144.1 121.65 11.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.4 -13.11 62.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -133.06 81.5 57.08 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.657 0.741 . . . . 0.0 110.872 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.552 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.8 Cg_endo -69.75 102.16 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -55.09 179.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.0 p -54.87 -37.45 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.5 -22.79 67.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.24 -52.21 4.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.578 ' HG2' HG21 ' A' ' 51' ' ' ILE . 54.0 mtm-85 -59.08 -38.86 80.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.89 -57.66 9.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -55.43 -43.94 75.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 tp -67.22 -37.76 84.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.41 -38.76 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.09 -14.54 29.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -77.81 -32.13 52.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.797 HD12 HD12 ' A' ' 46' ' ' LEU . 14.7 pt -118.51 -3.51 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 t70 66.88 52.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.797 HD12 HD12 ' A' ' 44' ' ' ILE . 18.2 mt -134.49 149.41 70.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.597 0.713 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.469 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.73 134.77 28.85 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -45.33 -26.97 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.69 -42.32 70.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.037 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.469 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 8.9 mmt85 -60.91 -55.35 34.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.578 HG21 ' HG2' ' A' ' 37' ' ' ARG . 55.1 mt -42.6 -45.46 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.461 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 6.2 mt-30 -51.42 -53.95 31.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.21 -59.67 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.588 ' CD1' HD13 ' A' ' 22' ' ' LEU . 16.5 t90 -43.14 -44.71 5.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.552 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.4 m-85 -70.51 -41.24 72.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.0 t -53.67 -57.78 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -57.41 -37.52 72.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.4 tpt85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.791 0.329 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -52.08 -30.29 25.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.45 -30.19 69.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.419 ' HA ' HG22 ' A' ' 44' ' ' ILE . 90.5 mt-30 -91.41 -40.54 11.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.7 mt -57.96 -35.1 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -62.02 -44.36 96.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.707 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -77.14 -32.88 56.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.436 ' HG ' HD13 ' A' ' 44' ' ' ILE . 10.6 mt -71.91 -25.49 61.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -83.14 -43.98 15.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -59.0 -29.42 67.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -81.81 -24.5 35.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -81.84 -37.7 26.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -62.53 -16.58 56.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.3 tpp85 -101.17 -41.68 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.1 t -147.98 128.38 13.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -78.03 -15.46 58.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -132.93 80.47 60.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.664 0.745 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.5 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.4 Cg_endo -69.79 106.7 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.299 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -48.18 176.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.2 p -57.82 -33.44 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -68.11 -17.83 64.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -93.33 -54.26 3.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.705 HH11 HG22 ' A' ' 51' ' ' ILE . 26.1 mtt-85 -57.43 -35.06 69.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.445 ' CG ' ' OE1' ' A' ' 48' ' ' GLU . 30.1 mt-10 -67.21 -55.1 15.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mmt-85 -57.73 -41.12 81.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.812 HD12 ' HE2' ' A' ' 43' ' ' LYS . 2.8 tp -69.6 -47.48 63.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.689 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -41.66 -36.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.97 -22.33 21.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.812 ' HE2' HD12 ' A' ' 40' ' ' LEU . 24.3 ttpt -72.05 -34.15 68.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.868 HD12 HD12 ' A' ' 46' ' ' LEU . 2.7 pt -112.4 -1.84 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.172 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.5 t0 70.62 35.4 1.88 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.868 HD12 HD12 ' A' ' 44' ' ' ILE . 20.2 mt -117.04 148.01 41.37 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.642 0.734 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.48 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.78 142.42 47.82 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.363 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.445 ' OE1' ' CG ' ' A' ' 38' ' ' GLU . 4.3 tt0 -54.63 -14.64 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.2 -31.57 23.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.48 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 11.3 mmt180 -70.41 -49.74 45.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.705 HG22 HH11 ' A' ' 37' ' ' ARG . 24.7 mt -48.13 -54.56 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.473 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.8 mt-30 -43.0 -43.88 4.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.71 -60.15 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.58 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 41.6 t90 -44.76 -29.9 0.86 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.5 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 9.2 m-85 -83.2 -39.99 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.5 t -55.48 -54.57 42.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -58.44 -37.3 75.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.58 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 10.2 mmt180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.9 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.77 0.319 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.47 -26.89 9.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -72.75 -29.97 63.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -89.87 -33.08 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.3 mt -63.36 -40.12 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.09 -45.23 83.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.717 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -73.55 -30.65 63.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.069 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.8 mt -74.69 -33.32 62.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -75.52 -47.64 26.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -56.35 -39.61 73.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.966 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.475 ' OE1' HG22 ' A' ' 29' ' ' THR . 7.4 tp10 -69.76 -30.49 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -73.86 -40.8 62.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -57.18 -30.09 64.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -87.39 -48.71 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.475 HG22 ' OE1' ' A' ' 25' ' ' GLU . 5.7 t -139.45 123.39 17.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.11 -11.62 59.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -132.97 81.8 56.73 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.683 0.754 . . . . 0.0 110.952 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.467 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.5 Cg_endo -69.77 106.88 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.29 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.2 -178.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.8 p -56.35 -35.35 43.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -68.31 -21.48 64.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.01 -49.59 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.463 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 53.8 mtm-85 -60.92 -41.67 96.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.81 -57.53 10.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -54.51 -45.24 73.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.6 -38.34 86.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.43 -40.51 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.45 -17.21 30.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -73.41 -30.21 63.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.74 HD12 HD12 ' A' ' 46' ' ' LEU . 3.1 pt -123.08 3.38 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 60.58 48.89 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 44' ' ' ILE . 16.3 mt -127.0 150.73 72.78 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.601 0.715 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.482 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.1 Cg_endo -69.79 134.58 28.26 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.672 2.248 . . . . 0.0 112.375 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 17.2 tt0 -47.9 -20.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.58 -39.01 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.482 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.5 mmt180 -62.69 -52.83 61.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.7 mt -46.75 -48.61 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.463 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 2.6 mt-30 -48.65 -49.14 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' SER . 21.6 t -64.28 -64.79 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.562 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 48.5 t90 -38.28 -37.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.467 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.4 m-85 -77.45 -40.52 42.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 53' ' ' VAL . 14.6 t -56.97 -54.55 45.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -57.52 -39.58 76.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.562 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 7.7 mmt-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.0 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.743 0.306 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -49.33 -37.27 23.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -60.33 -28.6 68.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -92.01 -47.2 7.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.5 mt -53.32 -35.58 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -62.92 -43.72 98.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.726 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.6 -29.24 45.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.46 ' HG ' HD13 ' A' ' 44' ' ' ILE . 11.9 mt -75.71 -25.26 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.69 -40.7 22.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -60.21 -38.15 82.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -70.05 -29.34 66.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -76.26 -39.97 53.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -56.9 -29.99 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.834 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -89.82 -46.65 8.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.2 t -143.68 127.92 17.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.075 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -77.4 -12.69 59.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -131.61 80.9 65.55 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.629 0.728 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.453 ' HG3' ' CZ ' ' A' ' 55' ' ' PHE . 53.7 Cg_endo -69.86 99.12 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.743 2.296 . . . . 0.0 112.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -48.74 175.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.51 -38.21 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -63.22 -22.42 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.77 -48.45 6.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.527 ' HG2' HG21 ' A' ' 51' ' ' ILE . 55.8 mtm-85 -60.4 -37.5 81.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.72 -56.57 11.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -55.32 -42.7 74.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.877 HD12 ' HE2' ' A' ' 43' ' ' LYS . 2.0 tp -70.2 -39.03 75.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.12 -37.09 9.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.53 -16.46 27.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.877 ' HE2' HD12 ' A' ' 40' ' ' LEU . 19.9 ttpt -75.53 -38.04 59.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.806 HD12 HD12 ' A' ' 46' ' ' LEU . 4.2 pt -112.56 3.57 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.211 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t70 60.99 50.07 5.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.806 HD12 HD12 ' A' ' 44' ' ' ILE . 15.9 mt -128.29 150.12 73.25 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.547 0.689 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.48 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.5 Cg_endo -69.73 135.08 29.62 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.667 2.245 . . . . 0.0 112.413 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -48.91 -19.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.39 -39.74 38.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.142 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.48 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.0 mmt180 -61.58 -52.81 62.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.527 HG21 ' HG2' ' A' ' 37' ' ' ARG . 49.1 mt -45.94 -49.09 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.457 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -50.39 -40.53 50.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.6 t -72.31 -62.43 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 69.9 t90 -41.12 -37.62 0.91 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.453 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 11.4 m-85 -76.41 -39.72 52.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 t -56.44 -50.36 71.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -64.95 -31.84 73.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 30.0 mmt-85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.0 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.709 0.29 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -51.67 -25.51 7.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -73.98 -29.17 61.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 95.8 mt-30 -90.33 -38.19 13.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 mt -58.0 -47.17 87.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -49.58 -45.38 47.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.715 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -74.71 -33.27 62.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.574 HD13 ' CD1' ' A' ' 54' ' ' TRP . 19.2 mt -71.98 -26.86 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -82.57 -38.62 23.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -66.27 -29.8 70.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -79.7 -23.07 42.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 18.2 t80 -83.42 -39.77 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -58.4 -22.07 52.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -97.16 -36.93 10.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 t -155.14 130.48 9.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -81.14 -14.67 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -127.28 79.79 72.65 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.737 0.779 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.544 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.78 99.22 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -48.97 174.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.52 -34.88 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.225 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -68.13 -18.14 64.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.85 -51.34 4.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.044 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.471 ' HG2' HG21 ' A' ' 51' ' ' ILE . 55.4 mtm-85 -60.74 -39.33 88.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -63.4 -57.49 10.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.0 mmt-85 -56.04 -44.75 79.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.3 tp -66.48 -40.99 89.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -46.39 -35.11 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.7 -16.7 28.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -77.56 -31.21 53.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.762 HD12 HD12 ' A' ' 46' ' ' LEU . 3.0 pt -120.06 6.18 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 58.04 49.16 12.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.762 HD12 HD12 ' A' ' 44' ' ' ILE . 17.3 mt -127.07 149.25 68.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.642 0.734 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.463 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.72 139.61 40.76 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.645 2.23 . . . . 0.0 112.414 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 6.4 tt0 -52.74 -16.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.48 -37.92 27.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.463 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.9 mmt180 -63.39 -52.93 59.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.471 HG21 ' HG2' ' A' ' 37' ' ' ARG . 28.0 mt -46.69 -46.99 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.436 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -51.04 -45.57 61.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 t -69.11 -55.04 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.574 ' CD1' HD13 ' A' ' 22' ' ' LEU . 30.9 t90 -49.36 -32.86 12.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.544 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.6 m-85 -80.98 -37.29 29.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.5 t -57.95 -52.45 65.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.765 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -58.7 -31.94 68.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.535 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 5.9 mmm180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.684 0.278 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -45.85 -39.28 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -57.84 -35.69 71.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.425 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 84.6 mt-30 -87.18 -38.37 16.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.8 mt -59.15 -35.17 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 6.1 pt-20 -63.79 -38.59 91.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.712 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -80.8 -27.96 36.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.449 ' HG ' HD13 ' A' ' 44' ' ' ILE . 10.6 mt -77.6 -29.89 52.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.46 -46.69 25.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -57.58 -37.02 72.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -68.12 -30.09 69.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 5.7 t80 -77.69 -38.12 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -55.73 -28.7 57.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -91.3 -45.31 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.9 t -141.53 123.12 15.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.43 -13.15 60.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -134.46 82.62 45.52 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.628 0.728 . . . . 0.0 110.971 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.555 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.3 Cg_endo -69.74 109.49 2.32 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.686 2.258 . . . . 0.0 112.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -60.97 -174.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.88 -37.46 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -66.65 -20.6 66.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.63 -52.54 4.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.463 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 43.3 mtm-85 -56.25 -36.78 68.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -66.63 -56.75 9.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -53.98 -43.39 69.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.809 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.13 -39.15 75.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.24 -36.85 6.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.7 -16.69 26.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -74.36 -26.49 60.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 1.048 HD12 HD12 ' A' ' 46' ' ' LEU . 2.8 pt -125.61 -3.06 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.207 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.3 t0 70.48 41.33 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.048 HD12 HD12 ' A' ' 44' ' ' ILE . 23.3 mt -119.26 147.0 42.07 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.596 0.712 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.484 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.1 Cg_endo -69.8 134.72 28.58 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.243 . . . . 0.0 112.355 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 6.9 tt0 -46.25 -20.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 47' ' ' PRO . . . -77.34 -38.4 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.484 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.7 mmt180 -62.68 -55.95 22.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.501 HG23 ' CE1' ' A' ' 55' ' ' PHE . 44.0 mt -43.81 -47.15 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.463 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -48.98 -46.84 44.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.53 -61.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.578 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 68.6 t90 -43.44 -42.91 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.9 m-85 -70.28 -35.82 73.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.2 t -61.69 -44.6 96.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -65.32 -34.73 79.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.578 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 19.4 mmt-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.3 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.76 0.314 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -51.98 -30.59 25.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.11 -26.06 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.457 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 91.6 mt-30 -94.38 -34.25 12.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.7 -32.63 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 8.8 pt-20 -63.78 -43.79 95.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.529 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.21 -31.53 49.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.1 mt -72.17 -22.87 61.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -83.25 -46.77 12.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -54.6 -39.9 68.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' OE1' HG22 ' A' ' 29' ' ' THR . 8.6 tp10 -69.37 -28.92 66.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -77.04 -40.38 46.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -56.59 -29.93 62.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -89.72 -46.14 8.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.411 HG22 ' OE1' ' A' ' 25' ' ' GLU . 8.8 t -144.72 127.11 15.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.56 -12.57 60.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -133.32 80.62 57.9 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.649 0.738 . . . . 0.0 110.937 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.46 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 53.3 Cg_endo -69.82 108.23 2.04 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.292 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -54.6 -175.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 35' ' ' PHE . 7.2 p -58.49 -40.67 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.064 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.411 ' N ' HG13 ' A' ' 34' ' ' VAL . 8.4 m-85 -62.63 -22.29 66.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -89.39 -53.72 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.067 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.539 ' HG2' HG21 ' A' ' 51' ' ' ILE . 51.9 mtm-85 -61.07 -39.96 91.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.71 -53.25 57.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -61.47 -42.79 99.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.6 -38.08 83.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.08 -35.35 6.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.092 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.64 -17.91 26.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -74.0 -30.51 62.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.773 HD12 HD12 ' A' ' 46' ' ' LEU . 2.2 pt -122.47 3.12 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 t0 60.82 47.48 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.773 HD12 HD12 ' A' ' 44' ' ' ILE . 17.8 mt -124.34 150.13 63.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.49 0.662 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.491 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.1 Cg_endo -69.79 135.69 31.03 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -47.89 -20.42 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.77 -40.68 40.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.491 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 8.9 mmt-85 -60.31 -52.96 63.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.539 HG21 ' HG2' ' A' ' 37' ' ' ARG . 28.5 mt -46.1 -50.12 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.464 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -48.95 -43.88 40.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.2 t -67.6 -62.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.561 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 75.0 t90 -40.74 -43.67 2.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.416 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 11.3 m-85 -69.34 -42.94 74.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.2 t -53.95 -52.14 61.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -61.46 -40.88 96.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.561 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 13.2 mmt-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -100.36 -64.34 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -115.54 117.84 31.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.54 -142.93 6.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -173.51 169.36 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.871 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -127.16 130.03 48.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.14 83.63 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -130.69 142.03 50.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -89.44 122.11 32.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -102.35 -47.3 4.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.02 158.8 39.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.1 t -126.44 145.89 50.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.1 m -100.23 -54.12 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -67.22 169.27 8.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.4 p -115.31 149.34 38.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -46.8 -36.68 7.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.23 -34.25 77.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 95.7 mt-30 -85.01 -34.65 22.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 64.8 mt -64.9 -45.95 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.169 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -50.88 -43.32 59.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.658 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -76.11 -31.45 58.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mt -73.89 -28.17 61.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -80.5 -35.28 34.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -67.07 -31.95 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -81.63 -24.28 36.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 5.2 t80 -80.35 -40.98 25.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -56.76 -24.56 50.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -94.08 -51.14 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -136.06 126.06 26.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -77.55 -13.44 59.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -134.19 80.6 52.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.687 0.756 . . . . 0.0 110.95 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.515 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.6 Cg_endo -69.69 107.93 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -52.41 179.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.7 p -57.69 -34.54 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -67.06 -21.36 65.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -93.43 -50.55 5.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.48 ' HG2' HG21 ' A' ' 51' ' ' ILE . 35.6 mtm-85 -60.11 -37.5 80.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -67.54 -55.64 12.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.3 mtt-85 -55.34 -42.55 74.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 tp -69.41 -36.91 77.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.58 -37.74 5.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.53 -18.76 24.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -73.22 -30.78 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.783 HD12 HD12 ' A' ' 46' ' ' LEU . 3.7 pt -123.0 5.02 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.48 52.98 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.783 HD12 HD12 ' A' ' 44' ' ' ILE . 18.5 mt -130.69 149.08 72.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.681 0.753 . . . . 0.0 110.839 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.49 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.4 Cg_endo -69.76 134.65 28.5 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -46.23 -21.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 47' ' ' PRO . . . -77.45 -40.62 42.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.49 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 11.6 mmt-85 -60.73 -52.44 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.48 HG21 ' HG2' ' A' ' 37' ' ' ARG . 33.8 mt -47.11 -47.77 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.45 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.2 mt-30 -50.67 -46.35 58.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.93 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 68.9 t90 -43.0 -43.25 4.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.515 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.9 m-85 -70.58 -36.16 73.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.8 t -59.98 -58.2 9.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -56.26 -36.23 68.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 17.2 mmt-85 -57.2 -51.04 70.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -46.29 -39.69 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.79 -29.14 66.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.58 -21.86 32.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -89.13 -44.3 10.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -65.2 -33.49 76.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -76.11 -38.49 56.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 66' ' ' GLU . 8.2 mt-10 -74.1 -59.38 2.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' GLU . 2.3 tm-20 -34.98 -39.75 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -64.66 -51.24 63.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' GLU . 32.0 mt -45.9 -31.17 2.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -77.56 -37.51 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -68.19 -39.25 82.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -70.04 -19.99 63.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 73' ' ' ARG . 19.0 ttp180 -92.48 -34.53 14.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' ARG . 39.8 ttp180 -37.67 140.52 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -123.5 106.44 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.2 m -50.44 -55.7 14.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.804 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.72 146.24 50.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.426 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 97.4 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.65 2.233 . . . . 0.0 112.293 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -70.13 83.09 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.812 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.5 t -110.37 153.49 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.403 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 m -93.66 118.37 31.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -80.91 -52.18 7.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.35 168.66 44.93 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -129.91 111.92 13.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -59.94 177.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.09 97.69 0.15 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.4 pm0 -128.18 137.41 52.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.4 mtm-85 -82.26 145.17 30.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -85.67 -44.2 12.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -91.93 119.79 32.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 13' ' ' SER . 12.1 m -111.99 130.57 55.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 12' ' ' THR . 51.0 m -35.65 -65.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -49.71 167.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.0 p -115.94 154.78 29.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.085 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -49.01 -38.72 24.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.68 -30.4 68.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -90.09 -43.71 10.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.6 mt -54.31 -37.63 37.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 8.8 pt-20 -63.15 -40.53 97.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.701 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -77.59 -28.16 51.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.527 HD13 ' CD1' ' A' ' 54' ' ' TRP . 9.9 mt -79.26 -32.39 43.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -72.87 -43.56 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -60.22 -38.56 83.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -68.56 -30.68 69.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 5.1 t80 -73.05 -45.46 57.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.77 -34.45 39.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -83.78 -43.64 15.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.1 t -149.34 126.13 11.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -14.5 60.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -130.78 80.64 69.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.665 0.745 . . . . 0.0 110.957 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.3 Cg_endo -69.73 102.72 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -51.52 179.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 p -55.98 -35.98 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -66.44 -18.8 65.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -94.74 -52.93 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.65 ' HG2' HG21 ' A' ' 51' ' ' ILE . 63.0 mtm-85 -59.2 -36.54 75.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -65.76 -53.47 40.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -59.48 -41.79 90.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.865 HD12 ' HE2' ' A' ' 43' ' ' LYS . 1.7 tp -69.81 -41.91 74.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -45.12 -37.33 4.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.89 -15.33 28.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.865 ' HE2' HD12 ' A' ' 40' ' ' LEU . 22.7 ttpt -76.89 -33.04 57.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.715 HD12 HD12 ' A' ' 46' ' ' LEU . 2.0 pt -119.02 0.32 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 66.24 49.44 1.49 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.715 HD12 HD12 ' A' ' 44' ' ' ILE . 27.1 mt -127.57 147.76 63.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.489 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.79 135.16 29.68 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.73 2.287 . . . . 0.0 112.347 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -45.61 -25.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.88 -41.52 64.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.489 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.7 mmt-85 -60.28 -54.76 41.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.65 HG21 ' HG2' ' A' ' 37' ' ' ARG . 37.0 mt -44.1 -46.89 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.443 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.6 mt-30 -51.71 -41.23 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.4 t -70.82 -59.71 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.586 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 22.6 t90 -46.35 -27.1 0.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.457 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.9 m-85 -88.64 -37.51 15.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.7 t -60.06 -37.0 78.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -71.63 -42.87 67.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.586 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 12.3 mmm180 -53.09 -47.57 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -48.95 -39.01 24.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.84 -32.11 69.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -82.29 -25.44 34.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -85.24 -43.27 13.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -66.99 -28.28 68.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -81.63 -38.82 25.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -72.39 -51.47 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.74 -32.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.82 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -82.13 -53.08 6.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.925 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.4 mt -50.78 -39.89 53.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -67.65 -43.83 79.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -54.78 -32.5 60.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -76.9 -32.09 57.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 73' ' ' ARG . 33.4 ttt180 -97.51 18.71 14.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 72' ' ' ARG . 17.5 mmt180 -34.71 103.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 75' ' ' SER . 4.7 tt0 -70.48 150.7 45.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.436 ' N ' ' HG2' ' A' ' 74' ' ' GLN . 13.6 m -79.05 177.18 9.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.805 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.45 148.2 7.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.27 66.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t -124.21 165.79 16.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.0 t -146.23 131.29 18.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -103.11 167.89 9.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.885 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -101.57 148.17 25.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.48 116.73 0.94 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 t -110.04 158.09 18.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.959 0.409 . . . . 0.0 110.857 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 m -104.89 -52.41 2.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.828 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.37 70.69 1.15 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -121.83 120.82 35.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.836 0.351 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.01 154.5 19.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -132.29 90.65 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -141.25 112.61 7.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.9 p -98.23 109.86 22.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.0 m -85.42 -46.55 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -57.36 166.34 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.8 p -112.58 154.47 25.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.174 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.33 -33.28 28.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -65.89 -27.78 68.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.452 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 84.0 mt-30 -92.76 -41.57 10.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.4 mt -56.54 -37.84 53.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 9.9 pt-20 -58.7 -45.88 88.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.682 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -75.96 -33.32 59.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.425 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 14.3 mt -70.54 -25.19 62.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -83.15 -49.29 9.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -54.7 -41.71 70.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.641 ' OE2' HG22 ' A' ' 29' ' ' THR . 10.6 tp10 -63.05 -31.1 72.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 3.4 t80 -72.81 -43.04 63.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -54.73 -30.36 55.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -88.13 -44.59 10.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.641 HG22 ' OE2' ' A' ' 25' ' ' GLU . 6.7 t -146.68 125.13 12.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.34 -15.89 60.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -134.04 80.96 52.61 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.662 0.744 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 106.08 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -52.31 178.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.2 p -55.48 -39.13 52.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -63.54 -21.93 66.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.02 -49.63 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.486 ' HG2' HG21 ' A' ' 51' ' ' ILE . 50.2 mtm-85 -59.48 -36.33 75.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -67.13 -54.04 25.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -56.51 -43.05 79.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tp -69.4 -36.93 77.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.69 -37.0 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.03 -16.7 26.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -73.92 -28.32 61.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.741 HD12 HD12 ' A' ' 46' ' ' LEU . 3.4 pt -124.77 0.68 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 t70 64.24 50.22 2.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.741 HD12 HD12 ' A' ' 44' ' ' ILE . 17.3 mt -128.35 149.32 71.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.5 Cg_endo -69.86 138.35 37.28 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.614 2.21 . . . . 0.0 112.294 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -50.46 -18.58 0.68 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.86 -37.11 35.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.462 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.1 mmt-85 -65.44 -51.16 62.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.486 HG21 ' HG2' ' A' ' 37' ' ' ARG . 60.6 mt -46.09 -50.7 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.471 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.1 mt-30 -49.6 -46.46 49.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.004 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.73 -61.37 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 58.9 t90 -42.41 -45.38 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -68.47 -41.01 80.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.9 t -53.85 -44.78 70.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -64.7 -38.01 89.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 10.5 mmm180 -59.55 -55.93 28.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -38.97 -44.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.56 -36.67 84.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 58' ' ' ARG . 19.3 tttp -76.42 -27.71 56.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -80.33 -50.68 9.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -58.59 -43.84 89.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.419 ' CG ' ' N ' ' A' ' 65' ' ' GLU . 3.4 ptm180 -64.66 -42.8 95.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 64' ' ' ARG . 9.1 mt-10 -64.35 -55.72 19.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -35.71 17.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 70' ' ' ASN . 7.7 tptm -63.81 -52.61 59.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.7 mt -39.07 -30.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' LYS . 15.2 ttt180 -87.02 -41.11 14.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' LYS . 48.9 m-20 -63.54 -23.91 67.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -77.68 -37.89 48.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -57.26 -29.44 63.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -70.46 147.02 49.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -84.9 41.67 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.8 m -43.35 -49.56 6.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.94 -92.68 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 101.61 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 m -126.9 122.57 35.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.2 t -45.11 -54.47 6.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.468 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 3' ' ' SER . 8.8 m -67.49 143.76 56.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 110.838 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 2' ' ' SER . 44.4 m -36.41 132.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.85 48.85 0.95 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.0 p -125.41 124.41 41.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 t -144.73 163.88 32.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.33 156.6 7.84 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -126.49 -45.21 1.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -114.86 149.06 37.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -112.99 83.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -132.52 126.69 33.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -36.45 144.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.4 p -115.36 -175.03 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.497 ' CE1' ' HD2' ' A' ' 50' ' ' ARG . 17.6 m-85 -45.94 160.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.2 p -130.57 159.92 35.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.165 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -49.02 -21.01 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -80.71 -32.02 35.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.474 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 83.8 mt-30 -88.86 -33.9 17.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.9 mt -63.8 -30.42 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.68 -43.54 75.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.784 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -74.25 -33.44 63.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.0 mt -71.75 -30.21 65.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.37 -38.43 50.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -65.88 -46.52 78.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.17 -36.17 76.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -63.93 -50.69 67.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -47.85 -40.49 21.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -75.47 -39.45 58.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 t -152.94 122.42 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -71.63 -15.04 62.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -133.4 80.63 57.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.719 0.771 . . . . 0.0 110.991 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.421 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.6 Cg_endo -69.66 103.04 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -54.92 -179.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 35' ' ' PHE . 4.9 p -51.93 -42.46 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.401 ' N ' HG13 ' A' ' 34' ' ' VAL . 9.3 m-85 -60.86 -19.92 60.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -94.57 -48.35 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.535 ' HG2' HG21 ' A' ' 51' ' ' ILE . 36.2 mtm-85 -65.11 -32.34 73.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -68.93 -53.48 20.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -61.8 -46.22 90.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 43' ' ' LYS . 3.3 tp -65.12 -42.11 94.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.495 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -44.16 -33.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.05 -19.61 22.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 40' ' ' LEU . 42.1 tttt -75.27 -24.97 57.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.828 HD12 HD12 ' A' ' 46' ' ' LEU . 4.1 pt -125.44 0.53 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.53 47.91 3.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.828 HD12 HD12 ' A' ' 44' ' ' ILE . 23.1 mt -126.28 147.02 58.27 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.588 0.709 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.489 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.8 Cg_endo -69.76 134.75 28.74 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.349 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -46.44 -21.93 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.33 -38.19 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.497 ' HD2' ' CE1' ' A' ' 14' ' ' PHE . 8.6 mmt180 -63.52 -56.86 12.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.535 HG21 ' HG2' ' A' ' 37' ' ' ARG . 49.8 mt -42.18 -45.68 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.198 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.46 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 5.2 mt-30 -50.37 -43.38 54.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 56' ' ' SER . 15.3 t -71.52 -65.71 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.571 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 47.8 t90 -38.8 -31.08 0.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.421 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.3 m-85 -85.21 -38.15 19.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 53' ' ' VAL . 5.1 t -56.89 -43.7 81.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -69.05 -37.61 78.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.571 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 11.7 mmt180 -58.06 -54.79 42.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -39.05 -45.33 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.86 -36.59 83.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 58' ' ' ARG . 11.7 tttp -74.55 -22.54 58.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -87.73 -47.08 8.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -65.2 -26.76 68.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -84.08 -37.6 21.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 68' ' ' LEU . 12.9 mt-10 -73.55 -51.69 16.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.51 -29.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 65' ' ' GLU . 77.8 tttt -83.07 -53.76 5.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 65' ' ' GLU . 9.7 mt -54.01 -40.76 67.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.0 ttt-85 -48.02 -51.96 21.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -64.55 -41.76 96.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -49.04 -43.83 41.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.464 ' NE ' ' HA ' ' A' ' 72' ' ' ARG . 2.0 tpm_? -87.52 -31.79 19.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -42.55 140.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -40.78 -44.3 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.5 m -50.56 119.02 3.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 132.0 -93.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.525 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 102.56 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.717 2.278 . . . . 0.0 112.333 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.7 t -86.17 93.52 9.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.7 m -156.6 137.39 13.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.491 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.5 p -130.69 -49.63 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 110.837 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m 56.21 41.34 29.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.26 56.52 0.5 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.432 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -136.02 140.92 44.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.812 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -146.7 176.45 9.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.66 -112.67 3.04 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 49.67 40.63 20.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -135.54 141.91 45.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -153.5 122.63 6.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.87 133.15 52.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.5 p -83.65 44.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.2 t -54.41 -36.74 64.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.997 0.427 . . . . 0.0 110.961 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.43 ' CZ ' ' HB2' ' A' ' 54' ' ' TRP . 65.5 m-85 -75.7 168.95 19.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.2 p -120.34 154.21 35.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -50.51 -31.97 16.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.87 -28.71 68.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.427 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 92.7 mt-30 -91.33 -39.3 12.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.5 mt -58.9 -36.12 59.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 9.8 pt-20 -62.18 -43.4 98.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.544 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.23 -29.57 48.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.444 ' HG ' HD13 ' A' ' 44' ' ' ILE . 14.1 mt -75.53 -24.94 56.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -80.01 -42.81 23.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -59.8 -35.28 74.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -78.33 -21.26 49.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 9.9 t80 -84.08 -39.76 19.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -60.61 -17.02 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -100.84 -38.89 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 t -152.4 127.11 9.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -78.07 -14.94 59.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -127.69 80.15 72.41 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.737 0.779 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.487 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.9 Cg_endo -69.69 103.28 1.13 Allowed 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.782 2.321 . . . . 0.0 112.369 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.86 176.81 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 p -54.16 -34.4 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -68.03 -19.98 64.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -93.48 -51.96 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.536 ' HG2' HG21 ' A' ' 51' ' ' ILE . 23.6 mtm-85 -60.58 -36.06 77.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.47 -57.77 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -54.81 -47.38 74.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tp -63.63 -42.63 98.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.538 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -45.36 -42.74 10.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.069 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.21 -16.77 45.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -78.67 -35.18 45.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.886 HD12 HD12 ' A' ' 46' ' ' LEU . 2.3 pt -115.94 8.59 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.182 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 t0 57.43 43.26 23.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.886 HD12 HD12 ' A' ' 44' ' ' ILE . 16.7 mt -120.15 145.61 40.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.654 0.74 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.469 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.81 138.65 38.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -50.38 -18.64 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.07 -36.48 35.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.469 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 6.6 mmt-85 -66.67 -54.74 19.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.536 HG21 ' HG2' ' A' ' 37' ' ' ARG . 31.9 mt -43.75 -44.62 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.436 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.4 mt-30 -51.16 -48.57 61.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 56' ' ' SER . 23.9 t -65.19 -62.89 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.555 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 71.1 t90 -40.77 -37.63 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.487 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 9.0 m-85 -78.23 -37.55 45.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' VAL . 33.4 t -59.91 -46.95 87.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -69.32 -35.01 75.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 26.4 mmt-85 -56.95 -53.48 57.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -41.48 -45.47 3.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.52 -34.27 77.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' ARG . 12.7 ttmm -75.63 -26.39 57.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -84.53 -42.58 15.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -66.3 -38.93 88.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -39.26 72.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.79 -55.3 7.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.19 -32.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -61.92 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.7 mt -38.94 -40.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -71.86 -50.79 26.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -53.33 -28.4 28.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -71.09 -43.3 67.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -30.73 70.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.818 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.402 ' C ' ' HD3' ' A' ' 73' ' ' ARG . 0.5 OUTLIER -101.35 166.32 10.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -79.35 124.98 28.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.5 t -155.47 146.46 22.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.54 146.24 21.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 166.33 27.99 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.756 2.304 . . . . 0.0 112.301 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 85.7 p -108.11 158.58 17.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' GLY . 73.6 p -44.07 157.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -108.91 148.24 30.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.911 0.386 . . . . 0.0 110.898 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 t -44.52 153.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.41 95.87 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.557 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.1 m -100.56 96.87 7.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -91.99 152.05 20.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.09 138.76 10.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -173.29 105.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -53.98 161.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -106.51 -56.88 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 12' ' ' THR . 9.7 tpp85 -65.6 150.28 48.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 48.7 m -83.96 100.16 10.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.112 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 m -73.87 -59.29 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -68.14 173.33 4.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 p -119.84 154.6 34.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -52.05 -30.48 25.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -66.75 -30.44 70.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 80.6 mt-30 -91.28 -43.05 10.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.1 mt -55.39 -37.86 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -59.02 -43.36 91.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.623 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -77.95 -30.71 50.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.153 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.438 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 7.7 mt -74.07 -22.66 59.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -86.03 -40.47 15.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -60.07 -33.44 72.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -78.36 -25.54 46.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 7.2 t80 -79.37 -42.46 25.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -56.43 -22.73 33.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -96.87 -44.42 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -146.23 129.1 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.182 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -80.02 -14.09 58.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -130.6 80.62 69.68 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.717 0.77 . . . . 0.0 110.939 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.429 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 54.4 Cg_endo -69.83 104.39 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.599 2.199 . . . . 0.0 112.37 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -48.74 176.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.65 -35.99 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -67.34 -18.43 65.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.429 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -93.92 -52.81 4.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.45 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 42.8 mtm-85 -58.62 -35.33 72.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -68.66 -57.39 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -54.16 -43.36 70.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tp -69.42 -37.11 77.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.33 -37.61 5.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.38 -17.01 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -72.23 -27.01 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.653 HD12 HD12 ' A' ' 46' ' ' LEU . 1.2 pt -126.15 -4.0 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.5 t0 70.78 44.85 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.653 HD12 HD12 ' A' ' 44' ' ' ILE . 24.9 mt -123.76 148.33 56.1 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.482 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.0 Cg_endo -69.7 138.57 38.33 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 8.2 tt0 -49.65 -18.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.73 -40.36 29.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.482 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 11.1 mmt85 -61.78 -52.76 62.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.802 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.421 HG21 ' HG2' ' A' ' 37' ' ' ARG . 50.1 mt -46.24 -48.37 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.45 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.0 mt-30 -49.12 -51.11 33.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.2 t -61.39 -60.58 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.558 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 60.8 t90 -43.83 -38.37 3.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -77.02 -33.86 57.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.8 t -64.44 -46.84 81.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -65.97 -43.21 88.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 41.9 mmt-85 -50.05 -54.24 21.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -42.05 -36.79 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.05 -42.03 90.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -75.03 -34.71 61.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -70.98 -42.15 70.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.9 mtp85 -71.12 -34.59 71.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -76.08 -39.65 54.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.494 ' HA ' HD12 ' A' ' 68' ' ' LEU . 5.8 mt-10 -69.89 -53.97 15.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -35.01 -35.43 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -75.37 -56.44 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 65' ' ' GLU . 17.7 mt -47.04 -41.07 16.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -52.12 -39.03 59.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -66.81 -32.35 73.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -66.55 -12.52 58.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 74' ' ' GLN . 14.6 tpt180 -106.62 21.07 18.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER 33.97 33.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 72' ' ' ARG . 51.9 tt0 -84.17 -55.51 4.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.3 m -133.54 156.67 47.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.35 176.23 38.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.73 4.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.3 t -88.95 133.3 34.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 t -102.88 112.88 25.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -132.67 149.73 52.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.885 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 t -48.11 145.19 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.33 76.3 0.33 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -97.57 141.69 30.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.378 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -120.35 177.43 5.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.65 -105.24 0.49 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.44 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -97.73 107.56 20.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.766 0.317 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -70.48 -52.95 18.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -136.29 124.73 23.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -97.94 129.88 44.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.812 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.2 p -87.7 116.37 25.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m -119.89 -56.95 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -94.7 166.24 12.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.1 p -112.5 153.41 27.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.39 -29.31 23.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.22 -29.53 67.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.441 ' HA ' HG22 ' A' ' 44' ' ' ILE . 93.0 mt-30 -90.86 -37.74 13.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.9 mt -62.14 -28.16 43.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -68.88 -40.73 79.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.708 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.53 -31.99 47.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.454 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 10.5 mt -73.39 -24.93 60.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -80.63 -44.14 19.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -61.37 -28.2 69.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -82.97 -24.92 32.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 11.8 t80 -85.53 -39.22 17.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.11 -26.29 66.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.56 -49.27 6.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.2 t -139.89 123.18 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.23 -12.84 60.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -126.18 80.65 68.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.679 0.752 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.71 95.13 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.95 174.53 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -54.23 -32.56 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -69.98 -17.92 63.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.45 -49.13 5.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 52.2 mtm-85 -64.33 -38.68 91.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.47 -53.72 38.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -61.53 -43.63 98.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tp -66.48 -38.25 86.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -47.85 -36.84 12.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.144 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.28 -16.75 30.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -76.32 -33.72 59.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.744 HD12 HD12 ' A' ' 46' ' ' LEU . 3.8 pt -118.51 6.83 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 57.17 51.03 10.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.744 HD12 HD12 ' A' ' 44' ' ' ILE . 28.0 mt -130.57 149.24 72.93 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.534 0.683 . . . . 0.0 110.971 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.479 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.83 136.94 34.08 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.729 2.286 . . . . 0.0 112.36 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.457 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 8.0 tt0 -48.38 -19.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.71 -38.6 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.479 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.4 mmt85 -62.57 -53.27 57.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.0 mt -45.8 -49.4 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.46 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.5 mt-30 -47.99 -53.01 17.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.6 t -58.11 -58.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.541 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 56.6 t90 -47.28 -32.48 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 7.2 m-85 -81.06 -39.93 24.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.4 t -54.36 -54.67 37.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -59.54 -36.19 75.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.582 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 8.2 mmm180 -59.53 -53.94 52.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -46.19 -41.77 13.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.45 -42.7 74.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -71.46 -19.01 62.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -90.94 -48.35 7.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.1 mtt-85 -62.65 -29.64 70.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -80.12 -38.3 31.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -73.47 -52.94 11.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.27 -44.05 3.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -59.73 -48.7 80.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.3 mt -41.64 -48.07 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.7 ttp85 -49.0 -50.44 35.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -55.65 -33.72 64.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -68.13 -8.02 34.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.994 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -106.58 11.52 30.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -50.68 98.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 50.27 45.03 26.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.6 t -79.63 98.01 6.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.84 -159.15 14.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.439 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' SER . 53.0 Cg_endo -69.8 -33.07 17.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.264 . . . . 0.0 112.338 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' PRO . 87.3 p -36.79 103.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t 43.98 48.27 7.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.512 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 t -40.61 144.36 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.9 0.381 . . . . 0.0 110.83 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -121.48 172.7 7.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.18 128.39 7.95 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -72.34 -4.13 28.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.913 0.387 . . . . 0.0 110.84 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -121.22 97.64 5.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.82 90.98 0.11 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -146.41 162.3 38.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.323 . . . . 0.0 110.967 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 55.34 42.15 30.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -84.47 102.14 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -121.8 100.04 6.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.5 m -59.6 111.48 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.2 m -85.46 -61.66 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -63.33 169.78 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.5 p -110.71 154.2 24.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -31.08 33.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -67.76 -30.13 69.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 82.7 mt-30 -90.57 -38.43 13.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.7 mt -60.24 -32.36 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -65.45 -40.98 93.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.649 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -80.66 -29.67 36.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.573 HD13 ' CD1' ' A' ' 54' ' ' TRP . 10.5 mt -75.87 -25.13 55.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.68 -46.64 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -57.46 -43.12 83.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -64.42 -34.38 78.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 14.7 t80 -73.51 -45.35 54.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.4 -31.88 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -86.5 -45.32 11.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.833 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -144.05 124.83 14.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.58 -12.11 60.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.848 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -127.56 83.15 66.82 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.656 0.741 . . . . 0.0 110.913 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.569 ' HD3' ' CD2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.69 96.11 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.69 2.26 . . . . 0.0 112.388 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -51.64 177.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.0 p -53.41 -38.14 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -66.78 -21.77 66.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.08 -45.83 8.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.634 ' HG2' HG21 ' A' ' 51' ' ' ILE . 28.4 mtm180 -63.01 -43.7 98.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.27 -58.7 6.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -52.43 -44.97 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 tp -68.59 -39.63 80.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.72 -37.94 6.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.071 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.07 -20.34 22.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -69.93 -31.89 69.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.865 HD12 HD12 ' A' ' 46' ' ' LEU . 3.0 pt -120.77 -3.83 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 t0 68.55 44.84 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.865 HD12 HD12 ' A' ' 44' ' ' ILE . 17.0 mt -122.05 149.32 53.84 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.57 0.7 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.491 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.76 135.66 31.03 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.658 2.239 . . . . 0.0 112.335 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 5.1 tt0 -46.0 -29.29 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.69 -39.94 80.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.491 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 8.1 mmt85 -63.0 -55.69 23.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.634 HG21 ' HG2' ' A' ' 37' ' ' ARG . 51.3 mt -41.0 -46.36 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.498 ' CD ' ' NH1' ' A' ' 37' ' ' ARG . 4.9 mt-30 -48.67 -59.12 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -53.19 -60.88 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.573 ' CD1' HD13 ' A' ' 22' ' ' LEU . 9.9 t90 -41.0 -43.56 2.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CD2' ' HD3' ' A' ' 32' ' ' PRO . 12.3 m-85 -75.34 -38.18 60.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.5 t -57.71 -52.36 65.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -66.01 -35.82 81.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.52 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 21.4 tpt85 -54.21 -48.51 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -47.46 -42.99 23.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.08 75.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -77.92 -23.52 48.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -86.76 -48.72 8.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.5 mtp85 -61.87 -39.25 91.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -69.87 -40.57 75.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 66' ' ' GLU . 9.3 mt-10 -69.31 -57.78 4.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -36.42 -40.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -64.99 -54.1 35.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 70.3 mt -40.33 -45.02 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.986 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -58.64 -51.98 67.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -57.7 -45.44 85.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -48.65 -42.49 34.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 73' ' ' ARG . 66.0 mtt85 -112.31 21.53 15.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' ARG . 11.9 tpp180 -37.34 131.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -41.93 -61.48 1.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 64.5 m -39.77 118.37 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.59 83.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 92.71 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.309 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t 64.79 37.01 7.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.1 t -145.95 145.73 30.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.79 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.545 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 t -59.42 142.49 52.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.914 0.387 . . . . 0.0 110.862 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 m -120.01 166.41 13.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.51 150.34 7.9 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -95.32 159.65 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.934 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 p -156.73 120.77 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.55 124.33 5.22 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -99.77 57.98 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -117.09 119.54 35.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -149.38 146.64 27.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -112.78 134.34 54.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 t -59.66 -34.58 73.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.089 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.519 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 14.2 m 67.0 39.84 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 13' ' ' SER . 81.0 m-85 -161.48 174.03 14.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.2 p -119.31 152.38 36.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -48.49 -30.41 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -66.86 -32.28 73.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -90.5 -41.66 11.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.4 mt -55.13 -35.9 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -62.45 -44.42 96.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.593 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -76.63 -31.32 57.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.599 HD13 ' CD1' ' A' ' 54' ' ' TRP . 12.2 mt -73.53 -23.61 60.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.484 ' CD ' ' NH2' ' A' ' 58' ' ' ARG . 11.7 mt-10 -83.99 -42.34 16.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -59.42 -36.63 76.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -76.05 -23.69 55.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 52.7 t80 -82.2 -41.07 20.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -60.4 -24.53 65.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -90.78 -40.44 11.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.8 t -150.97 122.17 7.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -71.32 -12.99 61.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -134.22 80.69 52.25 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.731 0.777 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.79 101.79 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.722 2.281 . . . . 0.0 112.353 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -46.78 173.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.7 p -53.82 -33.7 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -68.42 -17.92 64.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -94.08 -53.03 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.462 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 61.0 mtm-85 -56.76 -38.48 72.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -63.6 -57.32 10.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -54.13 -45.49 71.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.65 -38.38 86.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.17 -40.93 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.11 -15.08 34.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -75.0 -31.2 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.634 HD12 HD12 ' A' ' 46' ' ' LEU . 1.5 pt -122.67 2.97 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 t70 62.07 48.17 5.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.634 HD12 HD12 ' A' ' 44' ' ' ILE . 23.6 mt -126.46 149.71 68.42 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.588 0.709 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.481 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.5 Cg_endo -69.74 139.71 40.97 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.771 2.314 . . . . 0.0 112.283 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -51.92 -16.95 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.08 -33.34 29.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.481 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 14.4 mmt-85 -68.44 -51.79 39.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.0 mt -46.25 -50.88 4.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.462 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.3 mt-30 -46.7 -52.57 13.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.3 t -58.89 -55.39 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.599 ' CD1' HD13 ' A' ' 22' ' ' LEU . 12.5 t90 -49.76 -35.84 23.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.0 m-85 -77.14 -38.34 52.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.7 t -54.98 -57.88 9.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -61.51 -33.1 73.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.484 ' NH2' ' CD ' ' A' ' 23' ' ' GLU . 20.7 tpt180 -57.54 -52.33 65.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -47.86 -40.05 20.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.47 -44.82 85.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 51.4 tttt -65.83 -34.64 78.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -74.57 -50.54 17.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -58.11 -45.74 86.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.414 ' CG ' ' N ' ' A' ' 65' ' ' GLU . 4.0 ptp180 -63.42 -43.18 98.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.63 ' HA ' HD12 ' A' ' 68' ' ' LEU . 10.5 mm-40 -64.74 -59.24 4.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -34.92 -38.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -74.22 -55.96 5.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 65' ' ' GLU . 5.9 mt -52.4 -34.94 50.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -50.81 -27.99 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -75.54 -40.31 57.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -83.35 -8.5 59.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 73' ' ' ARG . 5.5 tpt180 -108.87 19.92 19.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 72' ' ' ARG . 2.2 mmp_? -34.44 122.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -54.25 113.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.9 p -71.83 174.09 7.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.8 164.5 0.81 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.539 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 133.78 26.41 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.647 2.231 . . . . 0.0 112.418 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.6 t -91.57 141.58 28.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.4 p -69.87 99.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.548 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.411 -0.276 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -130.96 155.14 47.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.0 p -105.58 174.58 5.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.46 163.49 12.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -151.44 152.97 33.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.379 . . . . 0.0 110.833 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 p -148.35 123.04 9.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.17 127.11 1.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -83.86 148.1 27.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' C ' ' HD2' ' A' ' 9' ' ' ARG . 8.1 ppt_? -159.93 163.87 33.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -154.65 164.16 39.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.2 mmt-85 -145.41 124.11 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.3 p -90.48 92.23 8.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.5 m -92.29 -48.79 6.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -88.68 170.78 10.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.7 p -115.55 150.56 36.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.119 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -48.83 -38.78 23.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -59.65 -30.7 68.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.533 ' HA ' HG22 ' A' ' 44' ' ' ILE . 92.1 mt-30 -89.28 -37.24 15.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.96 -36.06 69.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 8.2 pt-20 -61.88 -40.97 97.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.72 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -82.15 -26.7 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.047 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.556 ' HG ' HD13 ' A' ' 44' ' ' ILE . 15.3 mt -78.0 -25.29 47.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -79.56 -42.36 25.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -59.04 -44.31 91.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.541 ' OE1' HG22 ' A' ' 29' ' ' THR . 8.6 tp10 -63.76 -33.62 76.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 4.6 t80 -71.03 -44.98 64.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -52.48 -36.12 54.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -80.8 -46.59 15.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.541 HG22 ' OE1' ' A' ' 25' ' ' GLU . 8.5 t -145.36 125.17 13.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.26 -15.35 61.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -129.78 81.38 69.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.701 0.762 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.547 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.81 99.48 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -50.04 174.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.4 p -50.94 -39.24 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -61.68 -22.76 65.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.24 -49.78 5.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.479 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 52.8 mtm-85 -59.4 -38.43 80.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.98 -57.07 9.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.34 -44.17 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.824 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.671 HD12 ' HE2' ' A' ' 43' ' ' LYS . 1.4 tp -67.99 -40.04 83.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.44 -34.93 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.03 -17.36 25.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.671 ' HE2' HD12 ' A' ' 40' ' ' LEU . 13.9 ttpt -78.06 -34.57 50.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.887 HD12 HD12 ' A' ' 46' ' ' LEU . 5.1 pt -113.59 -3.3 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 t0 65.29 42.97 3.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.887 HD12 HD12 ' A' ' 44' ' ' ILE . 18.6 mt -122.38 150.28 57.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.61 0.719 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.485 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.2 Cg_endo -69.71 134.64 28.58 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -46.23 -23.42 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.58 -40.55 61.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.485 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.3 mmt180 -62.4 -54.33 41.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.466 HG21 ' HG2' ' A' ' 37' ' ' ARG . 62.1 mt -43.6 -47.04 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.479 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.4 mt-30 -50.64 -52.78 36.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.98 -60.66 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.575 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 62.8 t90 -42.48 -40.02 2.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.547 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.1 m-85 -74.51 -40.42 61.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.3 m -54.93 -56.72 16.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -56.99 -43.14 81.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.575 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 21.2 mmt180 -51.36 -54.7 23.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -39.8 -44.47 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.67 -37.96 87.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 39.4 tttp -72.97 -31.35 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -78.61 -47.75 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -59.22 -38.32 79.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -72.67 -40.55 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 61' ' ' LYS . 8.1 mm-40 -66.88 -54.83 18.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.4 OUTLIER -35.31 -43.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -70.43 -57.67 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.9 mt -47.63 -39.17 16.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -74.41 -47.12 35.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -46.95 -40.17 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -59.09 -41.72 88.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.6 ttt-85 -57.7 -34.11 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -38.28 149.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -38.07 120.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.459 ' CB ' ' HB2' ' A' ' 78' ' ' SER . 1.8 m -166.21 134.41 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.468 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -74.55 -60.34 3.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.439 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 76' ' ' GLY . 54.2 Cg_endo -69.77 -7.6 21.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.459 ' HB2' ' CB ' ' A' ' 75' ' ' SER . 3.3 t -50.16 -46.97 54.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.9 t -88.45 143.86 26.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 t -137.19 138.52 40.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.949 0.404 . . . . 0.0 110.806 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 p -69.21 150.81 47.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.931 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.82 66.55 0.24 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 6' ' ' SER . 50.1 m -67.79 110.53 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 5' ' ' SER . 18.8 m 38.23 41.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.22 -66.23 0.23 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.446 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -61.7 -55.47 30.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -115.69 92.45 3.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -45.67 -59.85 2.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 42.22 39.47 1.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -119.62 130.77 55.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 m -90.14 -39.62 12.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.815 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -64.49 171.76 3.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 p -120.09 153.47 36.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.11 -36.76 31.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -64.08 -29.06 70.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.473 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 87.7 mt-30 -90.51 -35.55 15.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.64 -27.1 42.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -71.28 -39.96 71.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.611 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -80.63 -28.23 37.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 10.2 mt -76.24 -26.78 56.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -79.78 -44.21 21.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -56.51 -38.45 71.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -70.77 -30.56 67.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -71.31 -47.57 55.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.72 -34.65 39.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -81.64 -47.26 13.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 t -145.06 125.34 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -73.94 -16.33 61.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.772 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -131.78 81.05 64.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.653 0.74 . . . . 0.0 110.959 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.458 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.73 105.41 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -52.7 -179.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.4 p -56.97 -35.08 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -67.12 -19.7 65.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -94.12 -51.21 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.44 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 48.2 mtm-85 -60.41 -31.96 70.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.67 -52.09 23.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -60.74 -42.83 98.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.824 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 tp -68.45 -40.52 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -46.36 -34.01 4.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.12 -17.07 25.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -74.94 -30.1 61.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.611 ' CG2' ' HB3' ' A' ' 21' ' ' ALA . 1.1 pt -122.05 1.1 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.1 t0 63.97 49.68 2.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.583 HD12 HD12 ' A' ' 44' ' ' ILE . 19.4 mt -127.3 150.21 71.86 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.606 0.717 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.67 138.7 38.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.401 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 5.6 tt0 -50.72 -17.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.7 -37.51 30.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.477 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 6.3 mmt-85 -62.45 -55.19 30.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.2 mt -45.02 -49.65 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.44 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.4 mt-30 -46.81 -49.24 20.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 56' ' ' SER . 41.7 t -63.03 -64.5 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.148 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 74.7 t90 -38.23 -44.43 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.997 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -69.79 -42.43 73.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' VAL . 3.8 t -51.93 -52.47 49.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -62.19 -40.05 94.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 36.3 mmt-85 -55.49 -54.44 43.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -42.1 -39.06 1.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.53 -35.92 73.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' ARG . 52.3 tttt -78.04 -21.47 50.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -88.76 -47.0 8.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.967 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -64.65 -32.69 74.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -76.72 -39.07 53.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 68' ' ' LEU . 9.6 mt-10 -74.5 -58.74 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -35.82 -36.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.911 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -69.12 -48.48 62.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 65' ' ' GLU . 18.3 mt -54.65 -32.89 59.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -58.72 -51.7 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.821 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -59.84 -37.72 80.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -60.47 -17.88 47.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -87.43 -31.59 19.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.1 ttt85 -42.0 140.59 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.1 92.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.1 p -147.2 121.13 9.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -43.05 157.55 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.532 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.93 67.61 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.1 m -110.64 -52.38 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.2 m 57.15 42.27 25.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -161.12 133.89 6.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 p -101.29 120.75 40.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.33 -149.45 45.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -112.4 157.13 21.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.823 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 p -51.56 -54.23 29.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.22 82.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.442 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -96.36 83.99 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -138.35 148.23 44.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -166.12 131.39 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' N ' ' HD3' ' A' ' 11' ' ' ARG . 1.2 mpp_? -99.77 101.24 12.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.1 m -52.89 105.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -90.99 -57.93 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -68.8 161.62 28.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 t -113.23 150.14 32.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -41.83 -41.05 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -55.96 -39.17 71.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.438 ' NE2' ' HG ' ' A' ' 46' ' ' LEU . 81.8 mt-30 -85.75 -34.42 21.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.62 -37.87 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 7.3 pt-20 -61.97 -40.58 96.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.758 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -79.78 -30.05 40.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 54' ' ' TRP . 10.3 mt -74.96 -27.08 60.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -81.84 -44.49 16.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -58.91 -47.72 84.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.1 -33.24 64.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -72.25 -42.32 65.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -53.18 -29.67 33.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -89.68 -44.77 9.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.1 t -145.22 123.24 12.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.47 -12.98 60.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -134.34 80.95 50.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.718 0.771 . . . . 0.0 110.907 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 100.36 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.653 2.235 . . . . 0.0 112.422 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -48.89 175.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.8 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.1 p -52.76 -38.32 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -63.5 -22.36 66.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.46 -51.27 5.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.467 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 53.7 mtm-85 -60.35 -34.88 74.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.12 -55.61 15.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -57.37 -45.76 84.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.9 -38.45 91.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.45 -35.91 13.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.52 -15.78 32.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -80.52 -40.9 25.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.904 HD12 HD12 ' A' ' 46' ' ' LEU . 11.8 pt -107.74 8.08 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 54.52 50.59 15.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.904 HD12 HD12 ' A' ' 44' ' ' ILE . 17.1 mt -131.59 149.83 74.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.45 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.3 Cg_endo -69.75 139.76 41.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.238 . . . . 0.0 112.354 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -50.8 -18.12 0.68 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.46 -38.61 29.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.45 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.0 mmt180 -62.86 -53.48 53.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.5 mt -45.44 -48.4 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.192 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.467 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.7 mt-30 -48.19 -50.98 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.923 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.2 t -60.53 -62.37 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.175 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.553 ' CD1' HD13 ' A' ' 22' ' ' LEU . 12.9 t90 -40.63 -42.35 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -73.56 -44.95 56.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.1 t -50.37 -51.31 47.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -69.2 -25.04 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.517 ' NH2' ' CE2' ' A' ' 54' ' ' TRP . 10.8 tpp180 -69.75 -49.09 56.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -47.61 -45.31 27.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.45 97.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -69.47 -27.09 64.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -81.74 -45.33 15.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -65.39 -35.71 81.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -74.88 -39.85 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.592 ' HA ' HD12 ' A' ' 68' ' ' LEU . 8.1 mt-10 -70.92 -57.81 4.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' GLU . 3.7 tt0 -35.35 -31.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 65' ' ' GLU . 8.1 tmtm? -81.16 -52.13 7.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 65' ' ' GLU . 10.6 mt -54.53 -34.53 61.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -58.53 -22.83 56.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -81.92 -20.47 38.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -75.55 -0.54 20.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.976 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -108.37 -0.05 20.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.3 ttt85 -48.8 134.58 16.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -44.05 152.52 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -145.68 148.12 32.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.61 169.35 2.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.558 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -9.51 26.28 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.591 2.194 . . . . 0.0 112.376 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.8 m -55.42 89.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.0 m -133.64 170.39 15.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 m -55.72 121.81 9.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -92.77 -49.36 6.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.37 -170.36 1.81 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.557 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -101.4 155.45 18.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.858 0.361 . . . . 0.0 110.845 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 m -133.86 130.06 37.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.801 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.25 116.92 3.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.499 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -95.54 -50.71 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.953 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -165.7 131.89 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -136.79 161.94 34.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -104.31 163.03 12.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.447 HG21 HD11 ' A' ' 19' ' ' ILE . 47.7 m -109.1 -50.06 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.504 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 3.2 m 65.91 38.4 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.504 ' CG ' ' O ' ' A' ' 13' ' ' SER . 75.6 m-85 -161.21 165.84 28.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.3 p -108.78 162.24 14.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.14 -32.31 68.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.8 -26.88 66.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.477 ' HA ' HG22 ' A' ' 44' ' ' ILE . 84.2 mt-30 -91.97 -38.56 12.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.447 HD11 HG21 ' A' ' 12' ' ' THR . 12.4 mt -61.01 -32.98 54.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 7.9 pt-20 -64.79 -42.56 94.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.788 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.71 -31.11 46.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.877 HD13 ' CD1' ' A' ' 54' ' ' TRP . 12.2 mt -75.22 -24.29 57.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -81.95 -44.32 16.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -58.94 -47.51 84.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.479 ' OE1' HG22 ' A' ' 29' ' ' THR . 8.4 tp10 -60.43 -36.21 77.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 14.8 t80 -68.94 -42.26 76.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.87 -31.43 59.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -87.58 -45.0 10.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.479 HG22 ' OE1' ' A' ' 25' ' ' GLU . 8.4 t -145.68 125.36 13.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.5 -13.66 60.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -125.73 82.59 63.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.684 0.754 . . . . 0.0 110.957 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.433 ' HD3' ' CD2' ' A' ' 55' ' ' PHE . 54.0 Cg_endo -69.77 98.86 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.66 2.24 . . . . 0.0 112.33 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -54.57 176.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -51.42 -38.95 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -66.97 -21.43 65.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.07 -46.29 7.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.643 ' HG2' HG21 ' A' ' 51' ' ' ILE . 33.3 mtm180 -62.26 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -61.55 -59.28 5.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -51.79 -46.62 64.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 tp -65.85 -41.9 91.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.76 -37.91 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.25 -18.15 30.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -76.94 -34.86 57.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.788 ' CG2' ' HB3' ' A' ' 21' ' ' ALA . 4.8 pt -116.59 5.05 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.185 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 t70 56.37 54.11 7.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.715 HD12 HD12 ' A' ' 44' ' ' ILE . 18.0 mt -131.57 149.64 74.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.731 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.493 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.0 Cg_endo -69.75 135.02 29.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.45 ' OE2' ' NH2' ' A' ' 37' ' ' ARG . 8.7 tt0 -44.93 -28.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.45 -38.9 78.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.493 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.3 mmt180 -64.28 -54.95 25.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.643 HG21 ' HG2' ' A' ' 37' ' ' ARG . 40.5 mt -40.95 -46.36 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.501 ' CD ' ' NH1' ' A' ' 37' ' ' ARG . 4.7 mt-30 -48.26 -59.79 3.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.2 t -52.62 -60.99 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.877 ' CD1' HD13 ' A' ' 22' ' ' LEU . 8.9 t90 -40.21 -44.18 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.433 ' CD2' ' HD3' ' A' ' 32' ' ' PRO . 12.4 m-85 -75.29 -37.81 60.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.6 t -55.37 -55.3 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -62.88 -40.22 96.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 26' ' ' PHE . 7.5 tpt180 -50.94 -54.28 25.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -41.51 -41.95 2.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.98 -45.21 82.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 31.6 tttm -65.59 -33.29 75.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.465 ' CZ2' ' HG2' ' A' ' 66' ' ' GLU . 88.7 t90 -76.02 -52.78 9.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 -56.07 -46.19 79.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.423 ' CG ' ' N ' ' A' ' 65' ' ' GLU . 12.5 ptp180 -62.49 -43.58 98.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 61' ' ' LYS . 4.9 mm-40 -63.67 -59.94 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.465 ' HG2' ' CZ2' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -46.79 -30.18 2.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -67.54 -53.43 28.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.5 mt -49.17 -26.34 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -79.12 -50.94 10.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -55.82 -38.38 69.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 17.9 pt20 -69.13 -40.34 78.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.477 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -68.45 -31.81 71.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -53.77 150.56 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -114.68 101.0 8.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.7 p -159.67 130.3 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.3 -95.02 0.24 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.429 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 127.29 14.39 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.627 2.218 . . . . 0.0 112.389 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.8 p -44.92 107.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.9 t -40.68 129.36 2.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.778 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.57 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -114.6 -50.13 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.912 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 m -90.85 112.02 23.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.49 -160.87 27.04 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.522 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 p -63.6 176.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.875 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 p -84.56 -47.22 10.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.91 -139.33 5.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -83.52 108.47 16.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 110.932 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -64.5 138.04 58.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.412 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 7.8 t-20 -85.32 37.48 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' N ' ' HD3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -164.42 145.0 7.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.693 ' O ' HG23 ' A' ' 12' ' ' THR . 11.1 t -94.67 71.14 3.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.109 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 p -41.22 -40.07 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -125.21 160.48 29.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.9 p -105.43 151.53 24.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -51.45 -29.91 17.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -69.01 -29.02 67.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.46 ' NE2' ' HG ' ' A' ' 46' ' ' LEU . 95.8 mt-30 -90.44 -37.07 14.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.2 mt -60.48 -33.97 56.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.06 -43.08 99.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.724 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.73 -31.91 46.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.588 HD13 ' CD1' ' A' ' 54' ' ' TRP . 13.8 mt -72.19 -22.76 61.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -83.29 -48.4 10.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -53.87 -48.49 69.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.573 ' OE2' HG22 ' A' ' 29' ' ' THR . 9.1 tp10 -57.5 -36.58 71.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -66.53 -44.49 82.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -52.35 -35.22 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -81.36 -47.06 13.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.573 HG22 ' OE2' ' A' ' 25' ' ' GLU . 4.2 t -144.1 121.65 11.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.4 -13.11 62.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -133.06 81.5 57.08 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.657 0.741 . . . . 0.0 110.872 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.552 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.8 Cg_endo -69.75 102.16 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -55.09 179.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.0 p -54.87 -37.45 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.5 -22.79 67.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.24 -52.21 4.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.578 ' HG2' HG21 ' A' ' 51' ' ' ILE . 54.0 mtm-85 -59.08 -38.86 80.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.89 -57.66 9.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -55.43 -43.94 75.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 tp -67.22 -37.76 84.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.41 -38.76 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.09 -14.54 29.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -77.81 -32.13 52.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.797 HD12 HD12 ' A' ' 46' ' ' LEU . 14.7 pt -118.51 -3.51 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 t70 66.88 52.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.797 HD12 HD12 ' A' ' 44' ' ' ILE . 18.2 mt -134.49 149.41 70.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.597 0.713 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.469 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.73 134.77 28.85 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -45.33 -26.97 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.69 -42.32 70.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.037 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.469 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 8.9 mmt85 -60.91 -55.35 34.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.578 HG21 ' HG2' ' A' ' 37' ' ' ARG . 55.1 mt -42.6 -45.46 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.461 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 6.2 mt-30 -51.42 -53.95 31.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.21 -59.67 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.588 ' CD1' HD13 ' A' ' 22' ' ' LEU . 16.5 t90 -43.14 -44.71 5.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.552 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.4 m-85 -70.51 -41.24 72.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.0 t -53.67 -57.78 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -57.41 -37.52 72.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.4 tpt85 -54.72 -52.52 62.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -42.93 -43.02 3.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.48 -38.14 88.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.051 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -72.93 -27.68 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -81.15 -51.11 8.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -58.99 -38.56 79.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -68.85 -41.26 78.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.606 ' HA ' HD12 ' A' ' 68' ' ' LEU . 6.1 mt-10 -68.93 -58.14 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -40.65 -38.02 0.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.8 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -65.17 -46.95 78.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.606 HD12 ' HA ' ' A' ' 65' ' ' GLU . 15.0 mt -53.86 -30.63 46.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.6 mmm-85 -60.89 -45.2 95.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -62.94 -25.73 68.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -73.91 -28.91 61.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -105.43 17.71 23.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -45.11 158.22 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 46.96 41.84 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.6 t -63.8 -47.59 80.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -129.88 143.67 14.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 86.11 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.701 2.267 . . . . 0.0 112.36 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.6 p -129.96 163.03 27.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.9 t -54.83 128.25 32.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -133.42 156.2 48.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.855 0.36 . . . . 0.0 110.914 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 m -114.54 170.9 7.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.36 103.49 1.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.447 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -122.2 120.88 35.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m 48.22 42.25 17.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.8 100.7 2.69 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.528 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 9' ' ' ARG . 26.3 mt-30 -59.85 167.4 2.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.342 . . . . 0.0 110.913 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' GLN . 7.5 ptm180 -36.88 143.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -104.28 166.43 10.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.79 126.57 46.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.4 p -93.85 121.3 35.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.1 m -87.42 -50.18 6.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -51.16 173.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 p -120.7 155.19 34.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -52.08 -30.29 25.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.45 -30.19 69.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.419 ' HA ' HG22 ' A' ' 44' ' ' ILE . 90.5 mt-30 -91.41 -40.54 11.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.7 mt -57.96 -35.1 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -62.02 -44.36 96.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.707 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -77.14 -32.88 56.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.436 ' HG ' HD13 ' A' ' 44' ' ' ILE . 10.6 mt -71.91 -25.49 61.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -83.14 -43.98 15.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -59.0 -29.42 67.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -81.81 -24.5 35.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -81.84 -37.7 26.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -62.53 -16.58 56.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.3 tpp85 -101.17 -41.68 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.1 t -147.98 128.38 13.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -78.03 -15.46 58.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -132.93 80.47 60.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.664 0.745 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.5 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.4 Cg_endo -69.79 106.7 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.299 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -48.18 176.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.2 p -57.82 -33.44 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -68.11 -17.83 64.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -93.33 -54.26 3.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.705 HH11 HG22 ' A' ' 51' ' ' ILE . 26.1 mtt-85 -57.43 -35.06 69.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' CG ' ' OE1' ' A' ' 48' ' ' GLU . 30.1 mt-10 -67.21 -55.1 15.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mmt-85 -57.73 -41.12 81.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.812 HD12 ' HE2' ' A' ' 43' ' ' LYS . 2.8 tp -69.6 -47.48 63.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.689 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -41.66 -36.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.97 -22.33 21.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.812 ' HE2' HD12 ' A' ' 40' ' ' LEU . 24.3 ttpt -72.05 -34.15 68.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.868 HD12 HD12 ' A' ' 46' ' ' LEU . 2.7 pt -112.4 -1.84 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.172 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.5 t0 70.62 35.4 1.88 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.868 HD12 HD12 ' A' ' 44' ' ' ILE . 20.2 mt -117.04 148.01 41.37 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.642 0.734 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.48 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.78 142.42 47.82 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.363 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.445 ' OE1' ' CG ' ' A' ' 38' ' ' GLU . 4.3 tt0 -54.63 -14.64 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.2 -31.57 23.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.48 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 11.3 mmt180 -70.41 -49.74 45.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.705 HG22 HH11 ' A' ' 37' ' ' ARG . 24.7 mt -48.13 -54.56 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.473 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.8 mt-30 -43.0 -43.88 4.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.71 -60.15 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.58 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 41.6 t90 -44.76 -29.9 0.86 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.5 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 9.2 m-85 -83.2 -39.99 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.5 t -55.48 -54.57 42.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -58.44 -37.3 75.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.58 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 10.2 mmt180 -59.04 -52.03 67.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -45.19 -41.73 8.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.26 -35.22 75.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -76.07 -28.52 57.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -83.93 -43.84 14.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -66.27 -36.88 84.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.9 ptt85 -73.95 -39.65 63.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.571 ' HA ' HD12 ' A' ' 68' ' ' LEU . 11.7 mt-10 -68.5 -52.62 30.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 65' ' ' GLU . 1.3 tm-20 -35.4 -36.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 65' ' ' GLU . 4.0 mtmp? -79.6 -55.65 4.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 65' ' ' GLU . 13.2 mt -48.84 -30.63 6.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -67.1 -46.6 73.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -59.02 -34.47 71.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -54.5 -45.17 73.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -67.97 -30.35 69.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HB3' ' NE2' ' A' ' 74' ' ' GLN . 12.6 tpp180 -56.68 153.18 10.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.404 ' NE2' ' HB3' ' A' ' 73' ' ' ARG . 3.6 pm0 38.62 42.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.8 m -39.81 -50.89 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.37 -158.06 30.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.49 28.67 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.625 2.216 . . . . 0.0 112.316 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.2 t -72.95 -48.56 35.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.7 t -69.8 -53.56 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.554 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -49.3 -58.95 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.816 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.6 p -65.67 156.97 31.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.97 -116.48 0.76 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p 42.48 42.01 2.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 t -62.67 -61.86 2.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.82 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.44 159.47 19.84 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.448 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -146.32 159.03 43.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.311 . . . . 0.0 110.943 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.4 ptt-85 -128.84 159.88 34.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -108.29 82.15 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -89.86 147.65 23.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 p -118.05 140.79 49.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.0 m -111.27 -49.86 2.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.494 ' CE1' ' HD2' ' A' ' 50' ' ' ARG . 87.0 m-85 -74.19 170.8 14.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.9 p -113.48 151.28 31.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.47 -26.89 9.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -72.75 -29.97 63.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -89.87 -33.08 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.3 mt -63.36 -40.12 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.09 -45.23 83.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.717 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -73.55 -30.65 63.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.069 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.8 mt -74.69 -33.32 62.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -75.52 -47.64 26.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -56.35 -39.61 73.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.966 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.475 ' OE1' HG22 ' A' ' 29' ' ' THR . 7.4 tp10 -69.76 -30.49 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -73.86 -40.8 62.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -57.18 -30.09 64.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -87.39 -48.71 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.475 HG22 ' OE1' ' A' ' 25' ' ' GLU . 5.7 t -139.45 123.39 17.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.11 -11.62 59.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -132.97 81.8 56.73 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.683 0.754 . . . . 0.0 110.952 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.467 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.5 Cg_endo -69.77 106.88 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.29 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.2 -178.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.8 p -56.35 -35.35 43.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -68.31 -21.48 64.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.01 -49.59 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.463 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 53.8 mtm-85 -60.92 -41.67 96.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.81 -57.53 10.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -54.51 -45.24 73.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.6 -38.34 86.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.43 -40.51 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.45 -17.21 30.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -73.41 -30.21 63.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.74 HD12 HD12 ' A' ' 46' ' ' LEU . 3.1 pt -123.08 3.38 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 60.58 48.89 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 44' ' ' ILE . 16.3 mt -127.0 150.73 72.78 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.601 0.715 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.482 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.1 Cg_endo -69.79 134.58 28.26 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.672 2.248 . . . . 0.0 112.375 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 17.2 tt0 -47.9 -20.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.58 -39.01 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.494 ' HD2' ' CE1' ' A' ' 14' ' ' PHE . 10.5 mmt180 -62.69 -52.83 61.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.7 mt -46.75 -48.61 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.463 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 2.6 mt-30 -48.65 -49.14 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' SER . 21.6 t -64.28 -64.79 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.562 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 48.5 t90 -38.28 -37.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.467 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.4 m-85 -77.45 -40.52 42.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 53' ' ' VAL . 14.6 t -56.97 -54.55 45.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -57.52 -39.58 76.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.562 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 7.7 mmt-85 -55.42 -53.72 52.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -40.54 -40.23 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.82 -36.79 75.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 58' ' ' ARG . 40.2 tttm -74.34 -23.27 59.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -89.34 -45.04 9.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -64.45 -22.3 66.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -87.36 -37.78 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.851 ' HA ' HD12 ' A' ' 68' ' ' LEU . 18.8 mt-10 -75.0 -49.46 19.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -43.03 -29.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.43 -49.84 10.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 65' ' ' GLU . 5.6 mt -54.72 -46.04 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -55.76 -41.6 74.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' OD1' ' C ' ' A' ' 70' ' ' ASN . 0.8 OUTLIER -57.35 -33.25 67.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -59.87 -15.18 19.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -108.53 23.71 14.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.5 tpt85 -121.82 156.94 32.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 51.74 49.87 19.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.3 t -69.9 158.71 35.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.32 167.43 12.12 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 146.6 60.58 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -48.74 156.49 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.844 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 t -39.23 154.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.542 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -97.53 -49.66 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 0.0 110.862 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m 52.3 42.14 30.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.42 97.91 0.51 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m 62.41 41.39 10.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -56.54 -58.81 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.16 -161.26 28.74 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -140.37 138.47 34.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.761 0.315 . . . . 0.0 110.929 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.1 mtp85 -95.32 153.86 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -116.91 -57.28 2.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -92.04 89.69 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.4 p -56.1 116.21 2.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.9 m -49.8 -54.05 21.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -79.33 170.25 16.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.0 p -116.24 153.05 32.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -49.33 -37.27 23.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -60.33 -28.6 68.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -92.01 -47.2 7.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.5 mt -53.32 -35.58 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -62.92 -43.72 98.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.726 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.6 -29.24 45.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.46 ' HG ' HD13 ' A' ' 44' ' ' ILE . 11.9 mt -75.71 -25.26 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.69 -40.7 22.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -60.21 -38.15 82.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -70.05 -29.34 66.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -76.26 -39.97 53.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -56.9 -29.99 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.834 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -89.82 -46.65 8.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.2 t -143.68 127.92 17.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.075 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -77.4 -12.69 59.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -131.61 80.9 65.55 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.629 0.728 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.453 ' HG3' ' CZ ' ' A' ' 55' ' ' PHE . 53.7 Cg_endo -69.86 99.12 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.743 2.296 . . . . 0.0 112.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -48.74 175.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.51 -38.21 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -63.22 -22.42 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.77 -48.45 6.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.527 ' HG2' HG21 ' A' ' 51' ' ' ILE . 55.8 mtm-85 -60.4 -37.5 81.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.72 -56.57 11.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -55.32 -42.7 74.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.877 HD12 ' HE2' ' A' ' 43' ' ' LYS . 2.0 tp -70.2 -39.03 75.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.12 -37.09 9.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.53 -16.46 27.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.877 ' HE2' HD12 ' A' ' 40' ' ' LEU . 19.9 ttpt -75.53 -38.04 59.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.806 HD12 HD12 ' A' ' 46' ' ' LEU . 4.2 pt -112.56 3.57 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.211 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t70 60.99 50.07 5.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.806 HD12 HD12 ' A' ' 44' ' ' ILE . 15.9 mt -128.29 150.12 73.25 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.547 0.689 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.48 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.5 Cg_endo -69.73 135.08 29.62 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.667 2.245 . . . . 0.0 112.413 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -48.91 -19.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.39 -39.74 38.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.142 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.48 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.0 mmt180 -61.58 -52.81 62.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.527 HG21 ' HG2' ' A' ' 37' ' ' ARG . 49.1 mt -45.94 -49.09 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.457 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -50.39 -40.53 50.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.6 t -72.31 -62.43 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 69.9 t90 -41.12 -37.62 0.91 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.453 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 11.4 m-85 -76.41 -39.72 52.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 t -56.44 -50.36 71.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -64.95 -31.84 73.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 30.0 mmt-85 -62.95 -53.28 56.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -44.92 -42.45 8.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.18 -30.45 70.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -82.97 -19.07 37.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -90.75 -41.61 11.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.5 mtp85 -71.79 -22.68 61.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -87.11 -37.88 16.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.907 ' HA ' HD12 ' A' ' 68' ' ' LEU . 17.3 mt-10 -73.7 -47.77 37.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.09 -34.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -81.08 -42.52 20.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.907 HD12 ' HA ' ' A' ' 65' ' ' GLU . 11.4 mt -59.11 -36.11 74.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.2 mtt85 -75.37 -44.44 44.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -63.36 -50.49 69.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -54.31 -27.88 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' ARG . 27.9 ttp85 -66.83 -30.79 71.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' ARG . 22.2 ptt180 -37.16 138.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -127.43 163.29 24.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 77.7 p -64.63 -49.89 69.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -173.86 -83.52 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 118.63 5.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.4 m -66.24 149.97 49.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.808 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -81.57 -59.96 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.498 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -101.84 97.19 7.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 110.892 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -88.29 -62.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.96 126.62 0.38 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.52 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 m -58.59 161.89 4.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.876 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -62.73 -47.49 83.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.74 86.64 0.23 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.437 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -160.04 158.56 30.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -115.21 112.63 22.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -116.13 99.21 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -69.66 148.21 49.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.4 t -83.8 141.96 31.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.8 m -108.57 -49.72 3.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.812 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -56.49 169.82 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.0 p -114.73 151.35 33.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -51.67 -25.51 7.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -73.98 -29.17 61.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 95.8 mt-30 -90.33 -38.19 13.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 mt -58.0 -47.17 87.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -49.58 -45.38 47.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.715 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -74.71 -33.27 62.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.574 HD13 ' CD1' ' A' ' 54' ' ' TRP . 19.2 mt -71.98 -26.86 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -82.57 -38.62 23.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -66.27 -29.8 70.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -79.7 -23.07 42.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 18.2 t80 -83.42 -39.77 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -58.4 -22.07 52.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -97.16 -36.93 10.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 t -155.14 130.48 9.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -81.14 -14.67 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -127.28 79.79 72.65 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.737 0.779 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.544 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.78 99.22 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -48.97 174.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.52 -34.88 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.225 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -68.13 -18.14 64.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.85 -51.34 4.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.044 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.471 ' HG2' HG21 ' A' ' 51' ' ' ILE . 55.4 mtm-85 -60.74 -39.33 88.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -63.4 -57.49 10.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.0 mmt-85 -56.04 -44.75 79.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.3 tp -66.48 -40.99 89.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -46.39 -35.11 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.7 -16.7 28.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -77.56 -31.21 53.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.762 HD12 HD12 ' A' ' 46' ' ' LEU . 3.0 pt -120.06 6.18 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 58.04 49.16 12.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.762 HD12 HD12 ' A' ' 44' ' ' ILE . 17.3 mt -127.07 149.25 68.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.642 0.734 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.463 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.72 139.61 40.76 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.645 2.23 . . . . 0.0 112.414 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 6.4 tt0 -52.74 -16.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.48 -37.92 27.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.463 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.9 mmt180 -63.39 -52.93 59.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.471 HG21 ' HG2' ' A' ' 37' ' ' ARG . 28.0 mt -46.69 -46.99 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.436 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -51.04 -45.57 61.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 t -69.11 -55.04 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.574 ' CD1' HD13 ' A' ' 22' ' ' LEU . 30.9 t90 -49.36 -32.86 12.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.544 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.6 m-85 -80.98 -37.29 29.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.5 t -57.95 -52.45 65.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.765 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -58.7 -31.94 68.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.535 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 5.9 mmm180 -64.61 -52.8 55.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -46.75 -39.54 11.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.39 -33.74 69.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -78.4 -24.68 46.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.44 ' CZ2' ' HG3' ' A' ' 66' ' ' GLU . 85.2 t90 -88.91 -44.79 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.3 mtp85 -65.14 -22.27 66.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.2 ptt85 -86.55 -38.16 17.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -75.95 -49.91 16.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' HG3' ' CZ2' ' A' ' 62' ' ' TRP . 13.3 mm-40 -39.46 -34.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 70' ' ' ASN . 2.6 mptm? -77.15 -47.59 19.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.5 mt -42.22 -35.78 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -72.11 -38.53 69.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.517 ' C ' ' ND2' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -68.48 -22.92 64.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -71.2 -5.9 35.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.1 ttt-85 -111.64 20.2 17.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 60.22 39.26 19.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -117.45 100.82 7.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.1 t 58.41 36.83 25.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.75 83.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 139.67 40.76 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.8 m -122.02 168.61 11.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.4 p -108.47 162.14 14.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 p -161.11 165.05 30.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t 66.17 42.25 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.49 80.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.516 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -128.72 84.16 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.816 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -48.15 -56.18 8.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.21 149.27 25.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -67.09 81.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 9' ' ' ARG . 26.1 mtm105 -82.23 41.44 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -132.52 81.43 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -97.74 94.14 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 t -120.08 -7.87 9.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.531 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 1.8 p -70.72 -15.61 62.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.531 ' CG ' ' O ' ' A' ' 13' ' ' SER . 37.4 m-85 -161.19 161.64 30.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.2 t -115.51 153.21 31.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.187 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -45.85 -39.28 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -57.84 -35.69 71.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.425 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 84.6 mt-30 -87.18 -38.37 16.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.8 mt -59.15 -35.17 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 6.1 pt-20 -63.79 -38.59 91.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.712 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -80.8 -27.96 36.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.449 ' HG ' HD13 ' A' ' 44' ' ' ILE . 10.6 mt -77.6 -29.89 52.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.46 -46.69 25.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -57.58 -37.02 72.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -68.12 -30.09 69.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 5.7 t80 -77.69 -38.12 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -55.73 -28.7 57.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -91.3 -45.31 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.9 t -141.53 123.12 15.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.43 -13.15 60.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -134.46 82.62 45.52 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.628 0.728 . . . . 0.0 110.971 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.555 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.3 Cg_endo -69.74 109.49 2.32 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.686 2.258 . . . . 0.0 112.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -60.97 -174.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.88 -37.46 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -66.65 -20.6 66.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.63 -52.54 4.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.463 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 43.3 mtm-85 -56.25 -36.78 68.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -66.63 -56.75 9.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -53.98 -43.39 69.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.809 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.13 -39.15 75.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.24 -36.85 6.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.7 -16.69 26.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -74.36 -26.49 60.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 1.048 HD12 HD12 ' A' ' 46' ' ' LEU . 2.8 pt -125.61 -3.06 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.207 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.3 t0 70.48 41.33 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.048 HD12 HD12 ' A' ' 44' ' ' ILE . 23.3 mt -119.26 147.0 42.07 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.596 0.712 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.484 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.1 Cg_endo -69.8 134.72 28.58 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.243 . . . . 0.0 112.355 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 6.9 tt0 -46.25 -20.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 47' ' ' PRO . . . -77.34 -38.4 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.484 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.7 mmt180 -62.68 -55.95 22.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.501 HG23 ' CE1' ' A' ' 55' ' ' PHE . 44.0 mt -43.81 -47.15 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.463 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -48.98 -46.84 44.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.53 -61.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.578 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 68.6 t90 -43.44 -42.91 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.9 m-85 -70.28 -35.82 73.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.2 t -61.69 -44.6 96.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -65.32 -34.73 79.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.578 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 19.4 mmt-85 -60.64 -49.72 76.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -46.2 -42.8 14.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.29 -31.24 70.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.082 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -81.32 -25.24 36.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -86.17 -45.34 11.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.9 mtp85 -63.87 -42.97 97.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 65' ' ' GLU . 29.9 ptt85 -65.41 -42.6 92.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.417 ' HA ' HD12 ' A' ' 68' ' ' LEU . 10.5 mt-10 -67.99 -48.43 65.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.93 -34.79 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 70' ' ' ASN . 0.7 OUTLIER -74.04 -58.17 3.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 65' ' ' GLU . 37.1 mt -37.43 -35.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.0 mtt85 -77.18 -42.68 36.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 67' ' ' LYS . 22.5 t-20 -53.32 -30.55 39.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -70.27 -31.52 68.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -33.45 69.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 74' ' ' GLN . 10.6 tpp180 -50.48 136.15 21.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' ARG . 53.8 mt-30 36.71 43.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.8 p -90.37 -178.18 5.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.59 157.93 52.12 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.435 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -34.34 15.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.3 p -50.29 105.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.5 m -126.49 106.13 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.475 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.4 p -66.16 91.49 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.3 p -78.21 171.34 15.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.46 68.38 0.31 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.415 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 m -85.51 96.41 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -112.96 137.12 51.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.14 97.94 2.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -115.2 98.97 7.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.337 . . . . 0.0 110.935 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -164.5 157.15 16.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -115.27 130.0 56.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -129.48 96.97 4.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.5 p -83.0 45.28 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 m -58.43 -47.14 84.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -63.21 166.84 5.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.3 p -113.21 154.3 26.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -51.98 -30.59 25.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.11 -26.06 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.457 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 91.6 mt-30 -94.38 -34.25 12.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.7 -32.63 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 8.8 pt-20 -63.78 -43.79 95.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.529 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.21 -31.53 49.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.1 mt -72.17 -22.87 61.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -83.25 -46.77 12.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -54.6 -39.9 68.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' OE1' HG22 ' A' ' 29' ' ' THR . 8.6 tp10 -69.37 -28.92 66.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -77.04 -40.38 46.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -56.59 -29.93 62.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -89.72 -46.14 8.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.411 HG22 ' OE1' ' A' ' 25' ' ' GLU . 8.8 t -144.72 127.11 15.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.56 -12.57 60.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -133.32 80.62 57.9 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.649 0.738 . . . . 0.0 110.937 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.46 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 53.3 Cg_endo -69.82 108.23 2.04 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.292 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -54.6 -175.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 35' ' ' PHE . 7.2 p -58.49 -40.67 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.064 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.411 ' N ' HG13 ' A' ' 34' ' ' VAL . 8.4 m-85 -62.63 -22.29 66.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -89.39 -53.72 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.067 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.539 ' HG2' HG21 ' A' ' 51' ' ' ILE . 51.9 mtm-85 -61.07 -39.96 91.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.71 -53.25 57.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -61.47 -42.79 99.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.6 -38.08 83.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.08 -35.35 6.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.092 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.64 -17.91 26.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -74.0 -30.51 62.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.773 HD12 HD12 ' A' ' 46' ' ' LEU . 2.2 pt -122.47 3.12 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 t0 60.82 47.48 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.773 HD12 HD12 ' A' ' 44' ' ' ILE . 17.8 mt -124.34 150.13 63.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.49 0.662 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.491 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.1 Cg_endo -69.79 135.69 31.03 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -47.89 -20.42 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.77 -40.68 40.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.491 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 8.9 mmt-85 -60.31 -52.96 63.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.539 HG21 ' HG2' ' A' ' 37' ' ' ARG . 28.5 mt -46.1 -50.12 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.464 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -48.95 -43.88 40.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.2 t -67.6 -62.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.561 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 75.0 t90 -40.74 -43.67 2.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.416 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 11.3 m-85 -69.34 -42.94 74.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.2 t -53.95 -52.14 61.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -61.46 -40.88 96.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.561 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 13.2 mmt-85 -52.6 -54.98 25.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -40.34 -41.35 1.35 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.58 -41.08 96.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' ARG . 13.0 ttpt -73.18 -33.69 65.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -73.52 -42.94 61.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 -70.61 -28.36 64.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -85.64 -36.77 20.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.487 ' HA ' HD12 ' A' ' 68' ' ' LEU . 24.4 mt-10 -71.76 -48.39 47.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.842 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -36.86 -34.92 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -79.42 -46.13 18.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 65' ' ' GLU . 21.3 mt -59.41 -34.81 72.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -32.35 72.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -75.66 -6.0 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -85.34 -11.46 54.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.8 14.65 22.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? 60.33 42.9 14.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -92.38 -49.1 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -114.31 151.15 33.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.69 146.41 2.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 171.15 14.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.644 2.229 . . . . 0.0 112.39 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.9 t -174.94 139.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.1 p 45.1 42.97 7.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.464 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.711 0.291 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -46.8 -36.68 7.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.23 -34.25 77.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 95.7 mt-30 -85.01 -34.65 22.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 64.8 mt -64.9 -45.95 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.169 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -50.88 -43.32 59.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.658 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -76.11 -31.45 58.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mt -73.89 -28.17 61.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -80.5 -35.28 34.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -67.07 -31.95 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -81.63 -24.28 36.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 5.2 t80 -80.35 -40.98 25.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -56.76 -24.56 50.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -94.08 -51.14 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -136.06 126.06 26.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -77.55 -13.44 59.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -134.19 80.6 52.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.687 0.756 . . . . 0.0 110.95 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.515 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.6 Cg_endo -69.69 107.93 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -52.41 179.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.7 p -57.69 -34.54 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -67.06 -21.36 65.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -93.43 -50.55 5.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.48 ' HG2' HG21 ' A' ' 51' ' ' ILE . 35.6 mtm-85 -60.11 -37.5 80.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -67.54 -55.64 12.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.3 mtt-85 -55.34 -42.55 74.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 tp -69.41 -36.91 77.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.58 -37.74 5.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.53 -18.76 24.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -73.22 -30.78 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.783 HD12 HD12 ' A' ' 46' ' ' LEU . 3.7 pt -123.0 5.02 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.48 52.98 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.783 HD12 HD12 ' A' ' 44' ' ' ILE . 18.5 mt -130.69 149.08 72.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.681 0.753 . . . . 0.0 110.839 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.49 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.4 Cg_endo -69.76 134.65 28.5 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -46.23 -21.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 47' ' ' PRO . . . -77.45 -40.62 42.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.49 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 11.6 mmt-85 -60.73 -52.44 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.48 HG21 ' HG2' ' A' ' 37' ' ' ARG . 33.8 mt -47.11 -47.77 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.45 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.2 mt-30 -50.67 -46.35 58.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.93 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 68.9 t90 -43.0 -43.25 4.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.515 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.9 m-85 -70.58 -36.16 73.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.8 t -59.98 -58.2 9.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -56.26 -36.23 68.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 17.2 mmt-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.0 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.817 0.341 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -49.01 -38.72 24.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.68 -30.4 68.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -90.09 -43.71 10.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.6 mt -54.31 -37.63 37.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 8.8 pt-20 -63.15 -40.53 97.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.701 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -77.59 -28.16 51.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.527 HD13 ' CD1' ' A' ' 54' ' ' TRP . 9.9 mt -79.26 -32.39 43.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -72.87 -43.56 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -60.22 -38.56 83.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -68.56 -30.68 69.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 5.1 t80 -73.05 -45.46 57.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.77 -34.45 39.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -83.78 -43.64 15.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.1 t -149.34 126.13 11.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.47 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 17.5 m170 -75.84 -14.5 60.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -130.78 80.64 69.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.665 0.745 . . . . 0.0 110.957 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.3 Cg_endo -69.73 102.72 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -51.52 179.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 p -55.98 -35.98 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -66.44 -18.8 65.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -94.74 -52.93 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.65 ' HG2' HG21 ' A' ' 51' ' ' ILE . 63.0 mtm-85 -59.2 -36.54 75.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -65.76 -53.47 40.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -59.48 -41.79 90.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.865 HD12 ' HE2' ' A' ' 43' ' ' LYS . 1.7 tp -69.81 -41.91 74.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -45.12 -37.33 4.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.89 -15.33 28.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.865 ' HE2' HD12 ' A' ' 40' ' ' LEU . 22.7 ttpt -76.89 -33.04 57.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.715 HD12 HD12 ' A' ' 46' ' ' LEU . 2.0 pt -119.02 0.32 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 66.24 49.44 1.49 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.715 HD12 HD12 ' A' ' 44' ' ' ILE . 27.1 mt -127.57 147.76 63.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.489 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.79 135.16 29.68 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.73 2.287 . . . . 0.0 112.347 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -45.61 -25.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.88 -41.52 64.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.489 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.7 mmt-85 -60.28 -54.76 41.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.65 HG21 ' HG2' ' A' ' 37' ' ' ARG . 37.0 mt -44.1 -46.89 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.443 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.6 mt-30 -51.71 -41.23 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.4 t -70.82 -59.71 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.586 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 22.6 t90 -46.35 -27.1 0.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.457 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.9 m-85 -88.64 -37.51 15.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.7 t -60.06 -37.0 78.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -71.63 -42.87 67.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.586 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 12.3 mmm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.8 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.746 0.308 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.33 -33.28 28.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -65.89 -27.78 68.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.452 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 84.0 mt-30 -92.76 -41.57 10.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.4 mt -56.54 -37.84 53.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 9.9 pt-20 -58.7 -45.88 88.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.682 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -75.96 -33.32 59.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.425 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 14.3 mt -70.54 -25.19 62.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -83.15 -49.29 9.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -54.7 -41.71 70.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.641 ' OE2' HG22 ' A' ' 29' ' ' THR . 10.6 tp10 -63.05 -31.1 72.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 3.4 t80 -72.81 -43.04 63.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -54.73 -30.36 55.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -88.13 -44.59 10.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.641 HG22 ' OE2' ' A' ' 25' ' ' GLU . 6.7 t -146.68 125.13 12.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.407 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 18.8 m170 -75.34 -15.89 60.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -134.04 80.96 52.61 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.662 0.744 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 106.08 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -52.31 178.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.2 p -55.48 -39.13 52.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -63.54 -21.93 66.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.02 -49.63 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.486 ' HG2' HG21 ' A' ' 51' ' ' ILE . 50.2 mtm-85 -59.48 -36.33 75.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -67.13 -54.04 25.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -56.51 -43.05 79.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tp -69.4 -36.93 77.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.69 -37.0 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.03 -16.7 26.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -73.92 -28.32 61.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.741 HD12 HD12 ' A' ' 46' ' ' LEU . 3.4 pt -124.77 0.68 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 t70 64.24 50.22 2.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.741 HD12 HD12 ' A' ' 44' ' ' ILE . 17.3 mt -128.35 149.32 71.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.5 Cg_endo -69.86 138.35 37.28 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.614 2.21 . . . . 0.0 112.294 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -50.46 -18.58 0.68 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.86 -37.11 35.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.462 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.1 mmt-85 -65.44 -51.16 62.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.486 HG21 ' HG2' ' A' ' 37' ' ' ARG . 60.6 mt -46.09 -50.7 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.471 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.1 mt-30 -49.6 -46.46 49.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.004 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.73 -61.37 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 58.9 t90 -42.41 -45.38 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -68.47 -41.01 80.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.9 t -53.85 -44.78 70.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -64.7 -38.01 89.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 10.5 mmm180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.712 0.291 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -49.02 -21.01 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -80.71 -32.02 35.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.474 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 83.8 mt-30 -88.86 -33.9 17.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.9 mt -63.8 -30.42 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.68 -43.54 75.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.784 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -74.25 -33.44 63.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.0 mt -71.75 -30.21 65.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.37 -38.43 50.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -65.88 -46.52 78.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.17 -36.17 76.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.506 ' CE1' ' CD2' ' A' ' 30' ' ' HIS . 4.3 t80 -63.93 -50.69 67.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -47.85 -40.49 21.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -75.47 -39.45 58.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 t -152.94 122.42 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.506 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 24.4 m170 -71.63 -15.04 62.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -133.4 80.63 57.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.719 0.771 . . . . 0.0 110.991 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.421 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.6 Cg_endo -69.66 103.04 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -54.92 -179.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 35' ' ' PHE . 4.9 p -51.93 -42.46 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.401 ' N ' HG13 ' A' ' 34' ' ' VAL . 9.3 m-85 -60.86 -19.92 60.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -94.57 -48.35 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.535 ' HG2' HG21 ' A' ' 51' ' ' ILE . 36.2 mtm-85 -65.11 -32.34 73.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -68.93 -53.48 20.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -61.8 -46.22 90.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 43' ' ' LYS . 3.3 tp -65.12 -42.11 94.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.495 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -44.16 -33.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.05 -19.61 22.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 40' ' ' LEU . 42.1 tttt -75.27 -24.97 57.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.828 HD12 HD12 ' A' ' 46' ' ' LEU . 4.1 pt -125.44 0.53 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.53 47.91 3.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.828 HD12 HD12 ' A' ' 44' ' ' ILE . 23.1 mt -126.28 147.02 58.27 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.588 0.709 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.489 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.8 Cg_endo -69.76 134.75 28.74 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.349 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -46.44 -21.93 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.33 -38.19 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.489 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 8.6 mmt180 -63.52 -56.86 12.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.535 HG21 ' HG2' ' A' ' 37' ' ' ARG . 49.8 mt -42.18 -45.68 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.198 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.46 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 5.2 mt-30 -50.37 -43.38 54.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 56' ' ' SER . 15.3 t -71.52 -65.71 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.571 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 47.8 t90 -38.8 -31.08 0.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.421 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.3 m-85 -85.21 -38.15 19.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 53' ' ' VAL . 5.1 t -56.89 -43.7 81.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -69.05 -37.61 78.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.571 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 11.7 mmt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.749 0.309 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -50.51 -31.97 16.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.87 -28.71 68.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.427 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 92.7 mt-30 -91.33 -39.3 12.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.5 mt -58.9 -36.12 59.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 9.8 pt-20 -62.18 -43.4 98.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.544 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.23 -29.57 48.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.444 ' HG ' HD13 ' A' ' 44' ' ' ILE . 14.1 mt -75.53 -24.94 56.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -80.01 -42.81 23.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -59.8 -35.28 74.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -78.33 -21.26 49.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 9.9 t80 -84.08 -39.76 19.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -60.61 -17.02 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -100.84 -38.89 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 t -152.4 127.11 9.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -78.07 -14.94 59.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -127.69 80.15 72.41 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.737 0.779 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.487 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.9 Cg_endo -69.69 103.28 1.13 Allowed 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.782 2.321 . . . . 0.0 112.369 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.86 176.81 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 p -54.16 -34.4 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -68.03 -19.98 64.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -93.48 -51.96 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.536 ' HG2' HG21 ' A' ' 51' ' ' ILE . 23.6 mtm-85 -60.58 -36.06 77.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.47 -57.77 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -54.81 -47.38 74.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tp -63.63 -42.63 98.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.538 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -45.36 -42.74 10.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.069 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.21 -16.77 45.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -78.67 -35.18 45.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.886 HD12 HD12 ' A' ' 46' ' ' LEU . 2.3 pt -115.94 8.59 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.182 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 t0 57.43 43.26 23.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.886 HD12 HD12 ' A' ' 44' ' ' ILE . 16.7 mt -120.15 145.61 40.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.654 0.74 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.469 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.81 138.65 38.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -50.38 -18.64 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.07 -36.48 35.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.469 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 6.6 mmt-85 -66.67 -54.74 19.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.536 HG21 ' HG2' ' A' ' 37' ' ' ARG . 31.9 mt -43.75 -44.62 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.436 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.4 mt-30 -51.16 -48.57 61.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 56' ' ' SER . 23.9 t -65.19 -62.89 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.555 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 71.1 t90 -40.77 -37.63 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.487 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 9.0 m-85 -78.23 -37.55 45.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' VAL . 33.4 t -59.91 -46.95 87.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -69.32 -35.01 75.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 26.4 mmt-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.75 0.31 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -52.05 -30.48 25.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -66.75 -30.44 70.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 80.6 mt-30 -91.28 -43.05 10.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.1 mt -55.39 -37.86 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -59.02 -43.36 91.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.623 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -77.95 -30.71 50.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.153 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.438 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 7.7 mt -74.07 -22.66 59.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -86.03 -40.47 15.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -60.07 -33.44 72.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -78.36 -25.54 46.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 7.2 t80 -79.37 -42.46 25.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -56.43 -22.73 33.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -96.87 -44.42 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -146.23 129.1 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.182 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -80.02 -14.09 58.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -130.6 80.62 69.68 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.717 0.77 . . . . 0.0 110.939 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.429 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 54.4 Cg_endo -69.83 104.39 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.599 2.199 . . . . 0.0 112.37 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -48.74 176.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.65 -35.99 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -67.34 -18.43 65.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.429 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -93.92 -52.81 4.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.45 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 42.8 mtm-85 -58.62 -35.33 72.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -68.66 -57.39 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -54.16 -43.36 70.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tp -69.42 -37.11 77.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.33 -37.61 5.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.38 -17.01 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -72.23 -27.01 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.653 HD12 HD12 ' A' ' 46' ' ' LEU . 1.2 pt -126.15 -4.0 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.5 t0 70.78 44.85 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.653 HD12 HD12 ' A' ' 44' ' ' ILE . 24.9 mt -123.76 148.33 56.1 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.482 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.0 Cg_endo -69.7 138.57 38.33 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 8.2 tt0 -49.65 -18.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.73 -40.36 29.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.482 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 11.1 mmt85 -61.78 -52.76 62.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.802 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.421 HG21 ' HG2' ' A' ' 37' ' ' ARG . 50.1 mt -46.24 -48.37 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.45 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.0 mt-30 -49.12 -51.11 33.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.2 t -61.39 -60.58 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.558 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 60.8 t90 -43.83 -38.37 3.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -77.02 -33.86 57.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.8 t -64.44 -46.84 81.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -65.97 -43.21 88.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 41.9 mmt-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.1 p . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.715 0.293 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.39 -29.31 23.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.22 -29.53 67.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.441 ' HA ' HG22 ' A' ' 44' ' ' ILE . 93.0 mt-30 -90.86 -37.74 13.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.9 mt -62.14 -28.16 43.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -68.88 -40.73 79.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.708 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.53 -31.99 47.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.454 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 10.5 mt -73.39 -24.93 60.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -80.63 -44.14 19.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -61.37 -28.2 69.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -82.97 -24.92 32.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 11.8 t80 -85.53 -39.22 17.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.11 -26.29 66.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.56 -49.27 6.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.2 t -139.89 123.18 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -74.23 -12.84 60.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -126.18 80.65 68.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.679 0.752 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.71 95.13 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.95 174.53 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -54.23 -32.56 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -69.98 -17.92 63.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.45 -49.13 5.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.46 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 52.2 mtm-85 -64.33 -38.68 91.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.47 -53.72 38.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -61.53 -43.63 98.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tp -66.48 -38.25 86.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -47.85 -36.84 12.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.144 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.28 -16.75 30.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -76.32 -33.72 59.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.744 HD12 HD12 ' A' ' 46' ' ' LEU . 3.8 pt -118.51 6.83 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 57.17 51.03 10.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.744 HD12 HD12 ' A' ' 44' ' ' ILE . 28.0 mt -130.57 149.24 72.93 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.534 0.683 . . . . 0.0 110.971 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.479 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.83 136.94 34.08 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.729 2.286 . . . . 0.0 112.36 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.457 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 8.0 tt0 -48.38 -19.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.71 -38.6 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.479 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.4 mmt85 -62.57 -53.27 57.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.0 mt -45.8 -49.4 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.46 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.5 mt-30 -47.99 -53.01 17.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.6 t -58.11 -58.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.541 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 56.6 t90 -47.28 -32.48 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 7.2 m-85 -81.06 -39.93 24.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.4 t -54.36 -54.67 37.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -59.54 -36.19 75.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.582 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 8.2 mmm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.793 0.33 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -31.08 33.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -67.76 -30.13 69.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 82.7 mt-30 -90.57 -38.43 13.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.7 mt -60.24 -32.36 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -65.45 -40.98 93.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.649 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -80.66 -29.67 36.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.573 HD13 ' CD1' ' A' ' 54' ' ' TRP . 10.5 mt -75.87 -25.13 55.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.68 -46.64 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -57.46 -43.12 83.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -64.42 -34.38 78.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 14.7 t80 -73.51 -45.35 54.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.4 -31.88 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -86.5 -45.32 11.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.833 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -144.05 124.83 14.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -75.58 -12.11 60.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.848 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -127.56 83.15 66.82 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.656 0.741 . . . . 0.0 110.913 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.569 ' HD3' ' CD2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.69 96.11 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.69 2.26 . . . . 0.0 112.388 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -51.64 177.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.0 p -53.41 -38.14 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -66.78 -21.77 66.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.08 -45.83 8.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.634 ' HG2' HG21 ' A' ' 51' ' ' ILE . 28.4 mtm180 -63.01 -43.7 98.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.27 -58.7 6.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -52.43 -44.97 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 tp -68.59 -39.63 80.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.72 -37.94 6.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.071 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.07 -20.34 22.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -69.93 -31.89 69.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.865 HD12 HD12 ' A' ' 46' ' ' LEU . 3.0 pt -120.77 -3.83 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 t0 68.55 44.84 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.865 HD12 HD12 ' A' ' 44' ' ' ILE . 17.0 mt -122.05 149.32 53.84 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.57 0.7 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.491 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.76 135.66 31.03 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.658 2.239 . . . . 0.0 112.335 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.452 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 5.1 tt0 -46.0 -29.29 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.69 -39.94 80.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.491 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 8.1 mmt85 -63.0 -55.69 23.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.634 HG21 ' HG2' ' A' ' 37' ' ' ARG . 51.3 mt -41.0 -46.36 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.498 ' CD ' ' NH1' ' A' ' 37' ' ' ARG . 13.2 mt-30 -48.67 -59.12 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -53.19 -60.88 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.573 ' CD1' HD13 ' A' ' 22' ' ' LEU . 9.9 t90 -41.0 -43.56 2.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CD2' ' HD3' ' A' ' 32' ' ' PRO . 12.3 m-85 -75.34 -38.18 60.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.5 t -57.71 -52.36 65.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -66.01 -35.82 81.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.52 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 21.4 tpt85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.2 p . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.789 0.328 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -48.49 -30.41 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -66.86 -32.28 73.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -90.5 -41.66 11.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.4 mt -55.13 -35.9 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -62.45 -44.42 96.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.593 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -76.63 -31.32 57.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.599 HD13 ' CD1' ' A' ' 54' ' ' TRP . 12.2 mt -73.53 -23.61 60.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.484 ' CD ' ' NH2' ' A' ' 58' ' ' ARG . 11.7 mt-10 -83.99 -42.34 16.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -59.42 -36.63 76.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -76.05 -23.69 55.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 52.7 t80 -82.2 -41.07 20.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -60.4 -24.53 65.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -90.78 -40.44 11.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.8 t -150.97 122.17 7.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -71.32 -12.99 61.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -134.22 80.69 52.25 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.731 0.777 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.79 101.79 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.722 2.281 . . . . 0.0 112.353 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -46.78 173.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.7 p -53.82 -33.7 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -68.42 -17.92 64.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -94.08 -53.03 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.462 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 61.0 mtm-85 -56.76 -38.48 72.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -63.6 -57.32 10.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -54.13 -45.49 71.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.65 -38.38 86.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.17 -40.93 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.11 -15.08 34.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -75.0 -31.2 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.634 HD12 HD12 ' A' ' 46' ' ' LEU . 1.5 pt -122.67 2.97 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 t70 62.07 48.17 5.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.634 HD12 HD12 ' A' ' 44' ' ' ILE . 23.6 mt -126.46 149.71 68.42 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.588 0.709 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.481 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.5 Cg_endo -69.74 139.71 40.97 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.771 2.314 . . . . 0.0 112.283 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -51.92 -16.95 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.08 -33.34 29.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.481 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 14.4 mmt-85 -68.44 -51.79 39.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.0 mt -46.25 -50.88 4.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.462 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.3 mt-30 -46.7 -52.57 13.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.3 t -58.89 -55.39 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.599 ' CD1' HD13 ' A' ' 22' ' ' LEU . 12.5 t90 -49.76 -35.84 23.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.0 m-85 -77.14 -38.34 52.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.7 t -54.98 -57.88 9.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -61.51 -33.1 73.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.484 ' NH2' ' CD ' ' A' ' 23' ' ' GLU . 20.7 tpt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.7 p . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.758 0.313 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -48.83 -38.78 23.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -59.65 -30.7 68.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.533 ' HA ' HG22 ' A' ' 44' ' ' ILE . 92.1 mt-30 -89.28 -37.24 15.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.96 -36.06 69.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 8.2 pt-20 -61.88 -40.97 97.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.72 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -82.15 -26.7 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.047 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.556 ' HG ' HD13 ' A' ' 44' ' ' ILE . 15.3 mt -78.0 -25.29 47.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -79.56 -42.36 25.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -59.04 -44.31 91.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.541 ' OE1' HG22 ' A' ' 29' ' ' THR . 8.6 tp10 -63.76 -33.62 76.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 4.6 t80 -71.03 -44.98 64.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -52.48 -36.12 54.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -80.8 -46.59 15.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.541 HG22 ' OE1' ' A' ' 25' ' ' GLU . 8.5 t -145.36 125.17 13.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -72.26 -15.35 61.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -129.78 81.38 69.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.701 0.762 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.547 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.81 99.48 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -50.04 174.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.4 p -50.94 -39.24 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -61.68 -22.76 65.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.24 -49.78 5.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.479 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 52.8 mtm-85 -59.4 -38.43 80.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.98 -57.07 9.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.34 -44.17 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.824 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.671 HD12 ' HE2' ' A' ' 43' ' ' LYS . 1.4 tp -67.99 -40.04 83.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.44 -34.93 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.03 -17.36 25.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.671 ' HE2' HD12 ' A' ' 40' ' ' LEU . 13.9 ttpt -78.06 -34.57 50.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.887 HD12 HD12 ' A' ' 46' ' ' LEU . 5.1 pt -113.59 -3.3 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 t0 65.29 42.97 3.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.887 HD12 HD12 ' A' ' 44' ' ' ILE . 18.6 mt -122.38 150.28 57.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.61 0.719 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.485 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.2 Cg_endo -69.71 134.64 28.58 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -46.23 -23.42 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.58 -40.55 61.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.485 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.3 mmt180 -62.4 -54.33 41.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.466 HG21 ' HG2' ' A' ' 37' ' ' ARG . 62.1 mt -43.6 -47.04 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.479 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.4 mt-30 -50.64 -52.78 36.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.98 -60.66 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.575 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 62.8 t90 -42.48 -40.02 2.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.547 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.1 m-85 -74.51 -40.42 61.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.3 m -54.93 -56.72 16.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -56.99 -43.14 81.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.575 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 21.2 mmt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.739 0.304 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.11 -36.76 31.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -64.08 -29.06 70.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.473 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 87.7 mt-30 -90.51 -35.55 15.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.64 -27.1 42.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -71.28 -39.96 71.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.611 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -80.63 -28.23 37.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 10.2 mt -76.24 -26.78 56.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -79.78 -44.21 21.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -56.51 -38.45 71.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -70.77 -30.56 67.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -71.31 -47.57 55.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.72 -34.65 39.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -81.64 -47.26 13.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 t -145.06 125.34 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -73.94 -16.33 61.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.772 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -131.78 81.05 64.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.653 0.74 . . . . 0.0 110.959 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.458 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.73 105.41 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -52.7 -179.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.4 p -56.97 -35.08 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -67.12 -19.7 65.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -94.12 -51.21 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.44 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 48.2 mtm-85 -60.41 -31.96 70.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.67 -52.09 23.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -60.74 -42.83 98.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.824 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 tp -68.45 -40.52 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -46.36 -34.01 4.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.12 -17.07 25.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -74.94 -30.1 61.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.611 ' CG2' ' HB3' ' A' ' 21' ' ' ALA . 1.1 pt -122.05 1.1 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.1 t0 63.97 49.68 2.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.583 HD12 HD12 ' A' ' 44' ' ' ILE . 19.4 mt -127.3 150.21 71.86 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.606 0.717 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.67 138.7 38.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.401 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 5.6 tt0 -50.72 -17.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.7 -37.51 30.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.477 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 6.3 mmt-85 -62.45 -55.19 30.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.2 mt -45.02 -49.65 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.44 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.4 mt-30 -46.81 -49.24 20.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 56' ' ' SER . 41.7 t -63.03 -64.5 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.148 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 74.7 t90 -38.23 -44.43 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.997 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -69.79 -42.43 73.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' VAL . 3.8 t -51.93 -52.47 49.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -62.19 -40.05 94.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 36.3 mmt-85 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.766 0.317 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -41.83 -41.05 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -55.96 -39.17 71.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.438 ' NE2' ' HG ' ' A' ' 46' ' ' LEU . 81.8 mt-30 -85.75 -34.42 21.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.62 -37.87 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 7.3 pt-20 -61.97 -40.58 96.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.758 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -79.78 -30.05 40.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 54' ' ' TRP . 10.3 mt -74.96 -27.08 60.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -81.84 -44.49 16.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -58.91 -47.72 84.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.1 -33.24 64.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE1' ' CD2' ' A' ' 30' ' ' HIS . 7.5 t80 -72.25 -42.32 65.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -53.18 -29.67 33.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -89.68 -44.77 9.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.1 t -145.22 123.24 12.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.567 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 22.9 m170 -73.47 -12.98 60.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -134.34 80.95 50.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.718 0.771 . . . . 0.0 110.907 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 100.36 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.653 2.235 . . . . 0.0 112.422 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -48.89 175.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.8 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.1 p -52.76 -38.32 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -63.5 -22.36 66.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.46 -51.27 5.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.467 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 53.7 mtm-85 -60.35 -34.88 74.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.12 -55.61 15.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -57.37 -45.76 84.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.9 -38.45 91.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.45 -35.91 13.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.52 -15.78 32.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -80.52 -40.9 25.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.904 HD12 HD12 ' A' ' 46' ' ' LEU . 11.8 pt -107.74 8.08 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 54.52 50.59 15.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.904 HD12 HD12 ' A' ' 44' ' ' ILE . 17.1 mt -131.59 149.83 74.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.45 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.3 Cg_endo -69.75 139.76 41.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.238 . . . . 0.0 112.354 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -50.8 -18.12 0.68 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.46 -38.61 29.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.45 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.0 mmt180 -62.86 -53.48 53.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.5 mt -45.44 -48.4 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.192 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.467 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.7 mt-30 -48.19 -50.98 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.923 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.2 t -60.53 -62.37 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.175 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.553 ' CD1' HD13 ' A' ' 22' ' ' LEU . 12.9 t90 -40.63 -42.35 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -73.56 -44.95 56.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.1 t -50.37 -51.31 47.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -69.2 -25.04 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.517 ' NH2' ' CE2' ' A' ' 54' ' ' TRP . 10.8 tpp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.3 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.74 0.305 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.14 -32.31 68.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.8 -26.88 66.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.477 ' HA ' HG22 ' A' ' 44' ' ' ILE . 84.2 mt-30 -91.97 -38.56 12.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.4 mt -61.01 -32.98 54.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.12 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 7.9 pt-20 -64.79 -42.56 94.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.788 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.71 -31.11 46.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.877 HD13 ' CD1' ' A' ' 54' ' ' TRP . 12.2 mt -75.22 -24.29 57.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -81.95 -44.32 16.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -58.94 -47.51 84.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.479 ' OE1' HG22 ' A' ' 29' ' ' THR . 8.4 tp10 -60.43 -36.21 77.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 14.8 t80 -68.94 -42.26 76.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.87 -31.43 59.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -87.58 -45.0 10.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.479 HG22 ' OE1' ' A' ' 25' ' ' GLU . 8.4 t -145.68 125.36 13.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -76.5 -13.66 60.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -125.73 82.59 63.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.684 0.754 . . . . 0.0 110.957 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.433 ' HD3' ' CD2' ' A' ' 55' ' ' PHE . 54.0 Cg_endo -69.77 98.86 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.66 2.24 . . . . 0.0 112.33 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -54.57 176.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -51.42 -38.95 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -66.97 -21.43 65.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.07 -46.29 7.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.643 ' HG2' HG21 ' A' ' 51' ' ' ILE . 33.3 mtm180 -62.26 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -61.55 -59.28 5.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -51.79 -46.62 64.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 tp -65.85 -41.9 91.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.76 -37.91 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.25 -18.15 30.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -76.94 -34.86 57.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.788 ' CG2' ' HB3' ' A' ' 21' ' ' ALA . 4.8 pt -116.59 5.05 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.185 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 t70 56.37 54.11 7.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.715 HD12 HD12 ' A' ' 44' ' ' ILE . 18.0 mt -131.57 149.64 74.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.731 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.493 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.0 Cg_endo -69.75 135.02 29.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.45 ' OE2' ' NH2' ' A' ' 37' ' ' ARG . 8.7 tt0 -44.93 -28.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.45 -38.9 78.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.493 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.3 mmt180 -64.28 -54.95 25.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.643 HG21 ' HG2' ' A' ' 37' ' ' ARG . 40.5 mt -40.95 -46.36 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.501 ' CD ' ' NH1' ' A' ' 37' ' ' ARG . 12.9 mt-30 -48.26 -59.79 3.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.2 t -52.62 -60.99 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.877 ' CD1' HD13 ' A' ' 22' ' ' LEU . 8.9 t90 -40.21 -44.18 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.433 ' CD2' ' HD3' ' A' ' 32' ' ' PRO . 12.4 m-85 -75.29 -37.81 60.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.6 t -55.37 -55.3 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -62.88 -40.22 96.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 26' ' ' PHE . 7.5 tpt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.763 0.316 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -51.45 -29.91 17.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -69.01 -29.02 67.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.46 ' NE2' ' HG ' ' A' ' 46' ' ' LEU . 95.8 mt-30 -90.44 -37.07 14.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.2 mt -60.48 -33.97 56.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.06 -43.08 99.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.724 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.73 -31.91 46.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.588 HD13 ' CD1' ' A' ' 54' ' ' TRP . 13.8 mt -72.19 -22.76 61.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -83.29 -48.4 10.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -53.87 -48.49 69.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.573 ' OE2' HG22 ' A' ' 29' ' ' THR . 9.1 tp10 -57.5 -36.58 71.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.437 ' CE1' ' CD2' ' A' ' 30' ' ' HIS . 6.7 t80 -66.53 -44.49 82.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -52.35 -35.22 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -81.36 -47.06 13.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.573 HG22 ' OE2' ' A' ' 25' ' ' GLU . 4.2 t -144.1 121.65 11.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.437 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 23.8 m170 -70.4 -13.11 62.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -133.06 81.5 57.08 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.657 0.741 . . . . 0.0 110.872 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.552 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.8 Cg_endo -69.75 102.16 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -55.09 179.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.0 p -54.87 -37.45 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.5 -22.79 67.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.24 -52.21 4.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.578 ' HG2' HG21 ' A' ' 51' ' ' ILE . 54.0 mtm-85 -59.08 -38.86 80.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.89 -57.66 9.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -55.43 -43.94 75.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 tp -67.22 -37.76 84.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.41 -38.76 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.09 -14.54 29.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -77.81 -32.13 52.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.797 HD12 HD12 ' A' ' 46' ' ' LEU . 14.7 pt -118.51 -3.51 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 t70 66.88 52.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.797 HD12 HD12 ' A' ' 44' ' ' ILE . 18.2 mt -134.49 149.41 70.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.597 0.713 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.469 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.73 134.77 28.85 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -45.33 -26.97 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.69 -42.32 70.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.037 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.469 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 8.9 mmt85 -60.91 -55.35 34.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.578 HG21 ' HG2' ' A' ' 37' ' ' ARG . 55.1 mt -42.6 -45.46 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.461 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 6.2 mt-30 -51.42 -53.95 31.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.21 -59.67 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.588 ' CD1' HD13 ' A' ' 22' ' ' LEU . 16.5 t90 -43.14 -44.71 5.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.552 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.4 m-85 -70.51 -41.24 72.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.0 t -53.67 -57.78 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -57.41 -37.52 72.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.4 tpt85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.791 0.329 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -52.08 -30.29 25.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.45 -30.19 69.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.419 ' HA ' HG22 ' A' ' 44' ' ' ILE . 90.5 mt-30 -91.41 -40.54 11.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.7 mt -57.96 -35.1 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -62.02 -44.36 96.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.707 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -77.14 -32.88 56.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.436 ' HG ' HD13 ' A' ' 44' ' ' ILE . 10.6 mt -71.91 -25.49 61.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -83.14 -43.98 15.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -59.0 -29.42 67.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -81.81 -24.5 35.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -81.84 -37.7 26.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -62.53 -16.58 56.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.3 tpp85 -101.17 -41.68 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.1 t -147.98 128.38 13.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -78.03 -15.46 58.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -132.93 80.47 60.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.664 0.745 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.5 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.4 Cg_endo -69.79 106.7 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.299 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -48.18 176.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.2 p -57.82 -33.44 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -68.11 -17.83 64.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -93.33 -54.26 3.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.705 HH11 HG22 ' A' ' 51' ' ' ILE . 26.1 mtt-85 -57.43 -35.06 69.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.445 ' CG ' ' OE1' ' A' ' 48' ' ' GLU . 30.1 mt-10 -67.21 -55.1 15.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mmt-85 -57.73 -41.12 81.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.812 HD12 ' HE2' ' A' ' 43' ' ' LYS . 2.8 tp -69.6 -47.48 63.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.689 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -41.66 -36.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.97 -22.33 21.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.812 ' HE2' HD12 ' A' ' 40' ' ' LEU . 24.3 ttpt -72.05 -34.15 68.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.868 HD12 HD12 ' A' ' 46' ' ' LEU . 2.7 pt -112.4 -1.84 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.172 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.5 t0 70.62 35.4 1.88 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.868 HD12 HD12 ' A' ' 44' ' ' ILE . 20.2 mt -117.04 148.01 41.37 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.642 0.734 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.48 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.78 142.42 47.82 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.363 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.445 ' OE1' ' CG ' ' A' ' 38' ' ' GLU . 4.3 tt0 -54.63 -14.64 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.2 -31.57 23.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.48 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 11.3 mmt180 -70.41 -49.74 45.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.705 HG22 HH11 ' A' ' 37' ' ' ARG . 24.7 mt -48.13 -54.56 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.473 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.8 mt-30 -43.0 -43.88 4.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.71 -60.15 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.58 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 41.6 t90 -44.76 -29.9 0.86 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.5 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 9.2 m-85 -83.2 -39.99 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.5 t -55.48 -54.57 42.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -58.44 -37.3 75.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.58 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 10.2 mmt180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.9 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.77 0.319 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.47 -26.89 9.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -72.75 -29.97 63.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -89.87 -33.08 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.3 mt -63.36 -40.12 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.09 -45.23 83.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.717 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -73.55 -30.65 63.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.069 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.8 mt -74.69 -33.32 62.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -75.52 -47.64 26.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -56.35 -39.61 73.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.966 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.475 ' OE1' HG22 ' A' ' 29' ' ' THR . 7.4 tp10 -69.76 -30.49 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -73.86 -40.8 62.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -57.18 -30.09 64.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -87.39 -48.71 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.475 HG22 ' OE1' ' A' ' 25' ' ' GLU . 5.7 t -139.45 123.39 17.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -76.11 -11.62 59.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -132.97 81.8 56.73 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.683 0.754 . . . . 0.0 110.952 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.467 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.5 Cg_endo -69.77 106.88 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.29 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.2 -178.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.8 p -56.35 -35.35 43.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -68.31 -21.48 64.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.01 -49.59 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.463 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 53.8 mtm-85 -60.92 -41.67 96.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.81 -57.53 10.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -54.51 -45.24 73.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.6 -38.34 86.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.43 -40.51 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.45 -17.21 30.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -73.41 -30.21 63.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.74 HD12 HD12 ' A' ' 46' ' ' LEU . 3.1 pt -123.08 3.38 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 60.58 48.89 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 44' ' ' ILE . 16.3 mt -127.0 150.73 72.78 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.601 0.715 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.482 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.1 Cg_endo -69.79 134.58 28.26 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.672 2.248 . . . . 0.0 112.375 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 17.2 tt0 -47.9 -20.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.58 -39.01 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.482 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.5 mmt180 -62.69 -52.83 61.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.7 mt -46.75 -48.61 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.463 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 2.6 mt-30 -48.65 -49.14 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' SER . 21.6 t -64.28 -64.79 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.562 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 48.5 t90 -38.28 -37.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.467 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.4 m-85 -77.45 -40.52 42.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 53' ' ' VAL . 14.6 t -56.97 -54.55 45.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -57.52 -39.58 76.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.562 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 7.7 mmt-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.0 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.743 0.306 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -49.33 -37.27 23.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -60.33 -28.6 68.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -92.01 -47.2 7.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.5 mt -53.32 -35.58 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -62.92 -43.72 98.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.726 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.6 -29.24 45.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.46 ' HG ' HD13 ' A' ' 44' ' ' ILE . 11.9 mt -75.71 -25.26 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.69 -40.7 22.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -60.21 -38.15 82.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -70.05 -29.34 66.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -76.26 -39.97 53.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -56.9 -29.99 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.834 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -89.82 -46.65 8.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.2 t -143.68 127.92 17.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.075 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -77.4 -12.69 59.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -131.61 80.9 65.55 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.629 0.728 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.453 ' HG3' ' CZ ' ' A' ' 55' ' ' PHE . 53.7 Cg_endo -69.86 99.12 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.743 2.296 . . . . 0.0 112.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -48.74 175.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.51 -38.21 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -63.22 -22.42 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.77 -48.45 6.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.527 ' HG2' HG21 ' A' ' 51' ' ' ILE . 55.8 mtm-85 -60.4 -37.5 81.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.72 -56.57 11.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -55.32 -42.7 74.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.877 HD12 ' HE2' ' A' ' 43' ' ' LYS . 2.0 tp -70.2 -39.03 75.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.12 -37.09 9.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.53 -16.46 27.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.877 ' HE2' HD12 ' A' ' 40' ' ' LEU . 19.9 ttpt -75.53 -38.04 59.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.806 HD12 HD12 ' A' ' 46' ' ' LEU . 4.2 pt -112.56 3.57 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.211 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t70 60.99 50.07 5.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.806 HD12 HD12 ' A' ' 44' ' ' ILE . 15.9 mt -128.29 150.12 73.25 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.547 0.689 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.48 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.5 Cg_endo -69.73 135.08 29.62 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.667 2.245 . . . . 0.0 112.413 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -48.91 -19.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.39 -39.74 38.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.142 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.48 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.0 mmt180 -61.58 -52.81 62.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.527 HG21 ' HG2' ' A' ' 37' ' ' ARG . 49.1 mt -45.94 -49.09 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.457 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -50.39 -40.53 50.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.6 t -72.31 -62.43 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 69.9 t90 -41.12 -37.62 0.91 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.453 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 11.4 m-85 -76.41 -39.72 52.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 t -56.44 -50.36 71.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -64.95 -31.84 73.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 30.0 mmt-85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.0 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.709 0.29 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -51.67 -25.51 7.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -73.98 -29.17 61.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 95.8 mt-30 -90.33 -38.19 13.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 mt -58.0 -47.17 87.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -49.58 -45.38 47.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.715 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -74.71 -33.27 62.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.574 HD13 ' CD1' ' A' ' 54' ' ' TRP . 19.2 mt -71.98 -26.86 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -82.57 -38.62 23.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -66.27 -29.8 70.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -79.7 -23.07 42.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 18.2 t80 -83.42 -39.77 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -58.4 -22.07 52.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -97.16 -36.93 10.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 t -155.14 130.48 9.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -81.14 -14.67 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -127.28 79.79 72.65 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.737 0.779 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.544 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.78 99.22 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -48.97 174.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.52 -34.88 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.225 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -68.13 -18.14 64.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.85 -51.34 4.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.044 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.471 ' HG2' HG21 ' A' ' 51' ' ' ILE . 55.4 mtm-85 -60.74 -39.33 88.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -63.4 -57.49 10.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.0 mmt-85 -56.04 -44.75 79.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.3 tp -66.48 -40.99 89.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -46.39 -35.11 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.7 -16.7 28.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -77.56 -31.21 53.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.762 HD12 HD12 ' A' ' 46' ' ' LEU . 3.0 pt -120.06 6.18 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 58.04 49.16 12.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.762 HD12 HD12 ' A' ' 44' ' ' ILE . 17.3 mt -127.07 149.25 68.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.642 0.734 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.463 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.72 139.61 40.76 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.645 2.23 . . . . 0.0 112.414 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 6.4 tt0 -52.74 -16.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.48 -37.92 27.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.463 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.9 mmt180 -63.39 -52.93 59.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.471 HG21 ' HG2' ' A' ' 37' ' ' ARG . 28.0 mt -46.69 -46.99 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.436 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -51.04 -45.57 61.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 t -69.11 -55.04 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.574 ' CD1' HD13 ' A' ' 22' ' ' LEU . 30.9 t90 -49.36 -32.86 12.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.544 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.6 m-85 -80.98 -37.29 29.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.5 t -57.95 -52.45 65.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.765 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -58.7 -31.94 68.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.535 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 5.9 mmm180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.684 0.278 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -45.85 -39.28 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -57.84 -35.69 71.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.425 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 84.6 mt-30 -87.18 -38.37 16.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.8 mt -59.15 -35.17 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 6.1 pt-20 -63.79 -38.59 91.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.712 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -80.8 -27.96 36.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.449 ' HG ' HD13 ' A' ' 44' ' ' ILE . 10.6 mt -77.6 -29.89 52.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.46 -46.69 25.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -57.58 -37.02 72.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -68.12 -30.09 69.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.476 ' CE1' ' CD2' ' A' ' 30' ' ' HIS . 5.7 t80 -77.69 -38.12 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -55.73 -28.7 57.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -91.3 -45.31 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.9 t -141.53 123.12 15.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.476 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 24.0 m170 -74.43 -13.15 60.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -134.46 82.62 45.52 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.628 0.728 . . . . 0.0 110.971 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.555 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.3 Cg_endo -69.74 109.49 2.32 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.686 2.258 . . . . 0.0 112.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -60.97 -174.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.88 -37.46 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -66.65 -20.6 66.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.63 -52.54 4.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.463 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 43.3 mtm-85 -56.25 -36.78 68.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -66.63 -56.75 9.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -53.98 -43.39 69.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.809 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.13 -39.15 75.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.24 -36.85 6.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.7 -16.69 26.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -74.36 -26.49 60.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 1.048 HD12 HD12 ' A' ' 46' ' ' LEU . 2.8 pt -125.61 -3.06 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.207 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.3 t0 70.48 41.33 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.048 HD12 HD12 ' A' ' 44' ' ' ILE . 23.3 mt -119.26 147.0 42.07 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.596 0.712 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.484 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.1 Cg_endo -69.8 134.72 28.58 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.243 . . . . 0.0 112.355 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 6.9 tt0 -46.25 -20.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 47' ' ' PRO . . . -77.34 -38.4 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.484 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.7 mmt180 -62.68 -55.95 22.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.501 HG23 ' CE1' ' A' ' 55' ' ' PHE . 44.0 mt -43.81 -47.15 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.463 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -48.98 -46.84 44.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.53 -61.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.578 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 68.6 t90 -43.44 -42.91 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.9 m-85 -70.28 -35.82 73.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.2 t -61.69 -44.6 96.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -65.32 -34.73 79.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.578 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 19.4 mmt-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.3 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.76 0.314 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -51.98 -30.59 25.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.11 -26.06 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.457 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 91.6 mt-30 -94.38 -34.25 12.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.7 -32.63 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 8.8 pt-20 -63.78 -43.79 95.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.529 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.21 -31.53 49.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.1 mt -72.17 -22.87 61.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -83.25 -46.77 12.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -54.6 -39.9 68.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' OE1' HG22 ' A' ' 29' ' ' THR . 8.6 tp10 -69.37 -28.92 66.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.405 ' CE1' ' CD2' ' A' ' 30' ' ' HIS . 5.4 t80 -77.04 -40.38 46.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -56.59 -29.93 62.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -89.72 -46.14 8.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.411 HG22 ' OE1' ' A' ' 25' ' ' GLU . 8.8 t -144.72 127.11 15.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.405 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 21.1 m170 -76.56 -12.57 60.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -133.32 80.62 57.9 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.649 0.738 . . . . 0.0 110.937 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.46 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 53.3 Cg_endo -69.82 108.23 2.04 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.292 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -54.6 -175.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 35' ' ' PHE . 7.2 p -58.49 -40.67 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.064 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.411 ' N ' HG13 ' A' ' 34' ' ' VAL . 8.4 m-85 -62.63 -22.29 66.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -89.39 -53.72 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.067 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.539 ' HG2' HG21 ' A' ' 51' ' ' ILE . 51.9 mtm-85 -61.07 -39.96 91.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.71 -53.25 57.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -61.47 -42.79 99.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.6 -38.08 83.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.08 -35.35 6.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.092 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.64 -17.91 26.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -74.0 -30.51 62.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.773 HD12 HD12 ' A' ' 46' ' ' LEU . 2.2 pt -122.47 3.12 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 t0 60.82 47.48 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.773 HD12 HD12 ' A' ' 44' ' ' ILE . 17.8 mt -124.34 150.13 63.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.49 0.662 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.491 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.1 Cg_endo -69.79 135.69 31.03 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -47.89 -20.42 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.77 -40.68 40.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.491 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 8.9 mmt-85 -60.31 -52.96 63.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.539 HG21 ' HG2' ' A' ' 37' ' ' ARG . 28.5 mt -46.1 -50.12 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.464 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -48.95 -43.88 40.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.2 t -67.6 -62.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.561 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 75.0 t90 -40.74 -43.67 2.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.416 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 11.3 m-85 -69.34 -42.94 74.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.2 t -53.95 -52.14 61.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -61.46 -40.88 96.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.561 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 13.2 mmt-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -100.36 -64.34 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -115.54 117.84 31.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.54 -142.93 6.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -173.51 169.36 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.871 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -127.16 130.03 48.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.14 83.63 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -130.69 142.03 50.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -89.44 122.11 32.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -102.35 -47.3 4.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.02 158.8 39.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.1 t -126.44 145.89 50.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.1 m -100.23 -54.12 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -67.22 169.27 8.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.4 p -115.31 149.34 38.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -46.8 -36.68 7.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.23 -34.25 77.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 95.7 mt-30 -85.01 -34.65 22.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 64.8 mt -64.9 -45.95 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.169 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -50.88 -43.32 59.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.658 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -76.11 -31.45 58.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 mt -73.89 -28.17 61.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -80.5 -35.28 34.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -67.07 -31.95 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -81.63 -24.28 36.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 5.2 t80 -80.35 -40.98 25.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -56.76 -24.56 50.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -94.08 -51.14 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -136.06 126.06 26.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -77.55 -13.44 59.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -134.19 80.6 52.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.687 0.756 . . . . 0.0 110.95 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.515 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.6 Cg_endo -69.69 107.93 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -52.41 179.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.7 p -57.69 -34.54 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -67.06 -21.36 65.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -93.43 -50.55 5.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.48 ' HG2' HG21 ' A' ' 51' ' ' ILE . 35.6 mtm-85 -60.11 -37.5 80.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -67.54 -55.64 12.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.3 mtt-85 -55.34 -42.55 74.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 tp -69.41 -36.91 77.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.58 -37.74 5.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.53 -18.76 24.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -73.22 -30.78 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.783 HD12 HD12 ' A' ' 46' ' ' LEU . 3.7 pt -123.0 5.02 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.48 52.98 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.783 HD12 HD12 ' A' ' 44' ' ' ILE . 18.5 mt -130.69 149.08 72.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.681 0.753 . . . . 0.0 110.839 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.49 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.4 Cg_endo -69.76 134.65 28.5 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -46.23 -21.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 47' ' ' PRO . . . -77.45 -40.62 42.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.49 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 11.6 mmt-85 -60.73 -52.44 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.48 HG21 ' HG2' ' A' ' 37' ' ' ARG . 33.8 mt -47.11 -47.77 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.45 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.2 mt-30 -50.67 -46.35 58.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.93 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 68.9 t90 -43.0 -43.25 4.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.515 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.9 m-85 -70.58 -36.16 73.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.8 t -59.98 -58.2 9.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -56.26 -36.23 68.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 17.2 mmt-85 -57.2 -51.04 70.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -46.29 -39.69 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.79 -29.14 66.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.58 -21.86 32.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -89.13 -44.3 10.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -65.2 -33.49 76.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -76.11 -38.49 56.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 66' ' ' GLU . 8.2 mt-10 -74.1 -59.38 2.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' GLU . 2.3 tm-20 -34.98 -39.75 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -64.66 -51.24 63.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' GLU . 32.0 mt -45.9 -31.17 2.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -77.56 -37.51 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -68.19 -39.25 82.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -70.04 -19.99 63.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 73' ' ' ARG . 19.0 ttp180 -92.48 -34.53 14.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' ARG . 39.8 ttp180 -37.67 140.52 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -123.5 106.44 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.2 m -50.44 -55.7 14.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.804 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.72 146.24 50.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.426 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 97.4 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.65 2.233 . . . . 0.0 112.293 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -70.13 83.09 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.812 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.5 t -110.37 153.49 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.403 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 m -93.66 118.37 31.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -80.91 -52.18 7.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.35 168.66 44.93 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -129.91 111.92 13.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -59.94 177.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.09 97.69 0.15 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.4 pm0 -128.18 137.41 52.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.4 mtm-85 -82.26 145.17 30.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -85.67 -44.2 12.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -91.93 119.79 32.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 13' ' ' SER . 12.1 m -111.99 130.57 55.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 12' ' ' THR . 51.0 m -35.65 -65.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -49.71 167.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.0 p -115.94 154.78 29.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.085 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -49.01 -38.72 24.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.68 -30.4 68.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -90.09 -43.71 10.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.6 mt -54.31 -37.63 37.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 8.8 pt-20 -63.15 -40.53 97.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.701 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -77.59 -28.16 51.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.527 HD13 ' CD1' ' A' ' 54' ' ' TRP . 9.9 mt -79.26 -32.39 43.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -72.87 -43.56 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -60.22 -38.56 83.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -68.56 -30.68 69.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 5.1 t80 -73.05 -45.46 57.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.77 -34.45 39.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -83.78 -43.64 15.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.1 t -149.34 126.13 11.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.47 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 17.5 m170 -75.84 -14.5 60.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -130.78 80.64 69.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.665 0.745 . . . . 0.0 110.957 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.3 Cg_endo -69.73 102.72 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -51.52 179.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 p -55.98 -35.98 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -66.44 -18.8 65.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -94.74 -52.93 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.65 ' HG2' HG21 ' A' ' 51' ' ' ILE . 63.0 mtm-85 -59.2 -36.54 75.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -65.76 -53.47 40.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -59.48 -41.79 90.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.865 HD12 ' HE2' ' A' ' 43' ' ' LYS . 1.7 tp -69.81 -41.91 74.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -45.12 -37.33 4.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.89 -15.33 28.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.865 ' HE2' HD12 ' A' ' 40' ' ' LEU . 22.7 ttpt -76.89 -33.04 57.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.715 HD12 HD12 ' A' ' 46' ' ' LEU . 2.0 pt -119.02 0.32 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t70 66.24 49.44 1.49 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.715 HD12 HD12 ' A' ' 44' ' ' ILE . 27.1 mt -127.57 147.76 63.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.489 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.79 135.16 29.68 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.73 2.287 . . . . 0.0 112.347 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -45.61 -25.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.88 -41.52 64.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.489 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.7 mmt-85 -60.28 -54.76 41.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.65 HG21 ' HG2' ' A' ' 37' ' ' ARG . 37.0 mt -44.1 -46.89 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.443 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.6 mt-30 -51.71 -41.23 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.4 t -70.82 -59.71 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.586 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 22.6 t90 -46.35 -27.1 0.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.457 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.9 m-85 -88.64 -37.51 15.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.7 t -60.06 -37.0 78.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -71.63 -42.87 67.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.586 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 12.3 mmm180 -53.09 -47.57 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -48.95 -39.01 24.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.84 -32.11 69.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -82.29 -25.44 34.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -85.24 -43.27 13.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -66.99 -28.28 68.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -81.63 -38.82 25.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -72.39 -51.47 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.74 -32.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.82 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -82.13 -53.08 6.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.925 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.4 mt -50.78 -39.89 53.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -67.65 -43.83 79.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -54.78 -32.5 60.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -76.9 -32.09 57.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 73' ' ' ARG . 33.4 ttt180 -97.51 18.71 14.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 72' ' ' ARG . 17.5 mmt180 -34.71 103.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 75' ' ' SER . 10.4 tt0 -70.48 150.7 45.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.436 ' N ' ' HG2' ' A' ' 74' ' ' GLN . 13.6 m -79.05 177.18 9.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.805 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.45 148.2 7.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.27 66.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t -124.21 165.79 16.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.0 t -146.23 131.29 18.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -103.11 167.89 9.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.885 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -101.57 148.17 25.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.48 116.73 0.94 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 t -110.04 158.09 18.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.959 0.409 . . . . 0.0 110.857 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 m -104.89 -52.41 2.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.828 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.37 70.69 1.15 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -121.83 120.82 35.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.836 0.351 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.01 154.5 19.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -132.29 90.65 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -141.25 112.61 7.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.9 p -98.23 109.86 22.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.0 m -85.42 -46.55 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -57.36 166.34 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.8 p -112.58 154.47 25.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.174 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.33 -33.28 28.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -65.89 -27.78 68.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.452 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 84.0 mt-30 -92.76 -41.57 10.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.4 mt -56.54 -37.84 53.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 9.9 pt-20 -58.7 -45.88 88.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.682 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -75.96 -33.32 59.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.425 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 14.3 mt -70.54 -25.19 62.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -83.15 -49.29 9.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -54.7 -41.71 70.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.641 ' OE2' HG22 ' A' ' 29' ' ' THR . 10.6 tp10 -63.05 -31.1 72.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 3.4 t80 -72.81 -43.04 63.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -54.73 -30.36 55.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -88.13 -44.59 10.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.641 HG22 ' OE2' ' A' ' 25' ' ' GLU . 6.7 t -146.68 125.13 12.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.407 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 18.8 m170 -75.34 -15.89 60.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -134.04 80.96 52.61 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.662 0.744 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 106.08 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -52.31 178.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.2 p -55.48 -39.13 52.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -63.54 -21.93 66.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.02 -49.63 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.486 ' HG2' HG21 ' A' ' 51' ' ' ILE . 50.2 mtm-85 -59.48 -36.33 75.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -67.13 -54.04 25.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -56.51 -43.05 79.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tp -69.4 -36.93 77.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.69 -37.0 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.03 -16.7 26.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -73.92 -28.32 61.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.741 HD12 HD12 ' A' ' 46' ' ' LEU . 3.4 pt -124.77 0.68 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 t70 64.24 50.22 2.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.741 HD12 HD12 ' A' ' 44' ' ' ILE . 17.3 mt -128.35 149.32 71.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.5 Cg_endo -69.86 138.35 37.28 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.614 2.21 . . . . 0.0 112.294 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -50.46 -18.58 0.68 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.86 -37.11 35.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.462 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.1 mmt-85 -65.44 -51.16 62.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.486 HG21 ' HG2' ' A' ' 37' ' ' ARG . 60.6 mt -46.09 -50.7 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.471 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.1 mt-30 -49.6 -46.46 49.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.004 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.73 -61.37 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 58.9 t90 -42.41 -45.38 4.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -68.47 -41.01 80.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.9 t -53.85 -44.78 70.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -64.7 -38.01 89.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 10.5 mmm180 -59.55 -55.93 28.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -38.97 -44.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.56 -36.67 84.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 58' ' ' ARG . 19.3 tttp -76.42 -27.71 56.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -80.33 -50.68 9.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -58.59 -43.84 89.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.419 ' CG ' ' N ' ' A' ' 65' ' ' GLU . 3.4 ptm180 -64.66 -42.8 95.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 64' ' ' ARG . 9.1 mt-10 -64.35 -55.72 19.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -35.71 17.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 70' ' ' ASN . 7.7 tptm -63.81 -52.61 59.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.7 mt -39.07 -30.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' LYS . 15.2 ttt180 -87.02 -41.11 14.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' LYS . 48.9 m-20 -63.54 -23.91 67.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -77.68 -37.89 48.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -57.26 -29.44 63.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -70.46 147.02 49.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -84.9 41.67 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.8 m -43.35 -49.56 6.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.94 -92.68 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 101.61 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 m -126.9 122.57 35.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.2 t -45.11 -54.47 6.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.468 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 3' ' ' SER . 8.8 m -67.49 143.76 56.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 110.838 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 2' ' ' SER . 44.4 m -36.41 132.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.85 48.85 0.95 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.0 p -125.41 124.41 41.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 t -144.73 163.88 32.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.33 156.6 7.84 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -126.49 -45.21 1.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -114.86 149.06 37.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -112.99 83.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -132.52 126.69 33.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -36.45 144.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.4 p -115.36 -175.03 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.497 ' CE1' ' HD2' ' A' ' 50' ' ' ARG . 17.6 m-85 -45.94 160.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.2 p -130.57 159.92 35.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.165 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -49.02 -21.01 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -80.71 -32.02 35.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.474 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 83.8 mt-30 -88.86 -33.9 17.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.9 mt -63.8 -30.42 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.68 -43.54 75.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.784 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -74.25 -33.44 63.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.0 mt -71.75 -30.21 65.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.37 -38.43 50.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -65.88 -46.52 78.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.17 -36.17 76.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.506 ' CE1' ' CD2' ' A' ' 30' ' ' HIS . 4.3 t80 -63.93 -50.69 67.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -47.85 -40.49 21.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -75.47 -39.45 58.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 t -152.94 122.42 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.506 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 24.4 m170 -71.63 -15.04 62.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -133.4 80.63 57.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.719 0.771 . . . . 0.0 110.991 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.421 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.6 Cg_endo -69.66 103.04 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -54.92 -179.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 35' ' ' PHE . 4.9 p -51.93 -42.46 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.401 ' N ' HG13 ' A' ' 34' ' ' VAL . 9.3 m-85 -60.86 -19.92 60.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -94.57 -48.35 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.535 ' HG2' HG21 ' A' ' 51' ' ' ILE . 36.2 mtm-85 -65.11 -32.34 73.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -68.93 -53.48 20.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -61.8 -46.22 90.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 43' ' ' LYS . 3.3 tp -65.12 -42.11 94.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.495 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -44.16 -33.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.05 -19.61 22.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 40' ' ' LEU . 42.1 tttt -75.27 -24.97 57.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.828 HD12 HD12 ' A' ' 46' ' ' LEU . 4.1 pt -125.44 0.53 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.53 47.91 3.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.828 HD12 HD12 ' A' ' 44' ' ' ILE . 23.1 mt -126.28 147.02 58.27 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.588 0.709 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.489 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.8 Cg_endo -69.76 134.75 28.74 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.349 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -46.44 -21.93 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.33 -38.19 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.497 ' HD2' ' CE1' ' A' ' 14' ' ' PHE . 8.6 mmt180 -63.52 -56.86 12.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.535 HG21 ' HG2' ' A' ' 37' ' ' ARG . 49.8 mt -42.18 -45.68 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.198 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.46 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 5.2 mt-30 -50.37 -43.38 54.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 56' ' ' SER . 15.3 t -71.52 -65.71 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.571 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 47.8 t90 -38.8 -31.08 0.05 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.421 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.3 m-85 -85.21 -38.15 19.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 53' ' ' VAL . 5.1 t -56.89 -43.7 81.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -69.05 -37.61 78.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.571 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 11.7 mmt180 -58.06 -54.79 42.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -39.05 -45.33 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.86 -36.59 83.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 58' ' ' ARG . 11.7 tttp -74.55 -22.54 58.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -87.73 -47.08 8.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -65.2 -26.76 68.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -84.08 -37.6 21.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 68' ' ' LEU . 12.9 mt-10 -73.55 -51.69 16.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.51 -29.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 65' ' ' GLU . 77.8 tttt -83.07 -53.76 5.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 65' ' ' GLU . 9.7 mt -54.01 -40.76 67.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.0 ttt-85 -48.02 -51.96 21.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -64.55 -41.76 96.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -49.04 -43.83 41.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.464 ' NE ' ' HA ' ' A' ' 72' ' ' ARG . 2.0 tpm_? -87.52 -31.79 19.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -42.55 140.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -40.78 -44.3 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.5 m -50.56 119.02 3.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 132.0 -93.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.525 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 102.56 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.717 2.278 . . . . 0.0 112.333 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.7 t -86.17 93.52 9.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.7 m -156.6 137.39 13.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.491 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.5 p -130.69 -49.63 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 110.837 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m 56.21 41.34 29.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.26 56.52 0.5 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.432 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -136.02 140.92 44.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.812 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -146.7 176.45 9.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.66 -112.67 3.04 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 49.67 40.63 20.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -135.54 141.91 45.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -153.5 122.63 6.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.87 133.15 52.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.5 p -83.65 44.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.2 t -54.41 -36.74 64.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.997 0.427 . . . . 0.0 110.961 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.43 ' CZ ' ' HB2' ' A' ' 54' ' ' TRP . 65.5 m-85 -75.7 168.95 19.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.2 p -120.34 154.21 35.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -50.51 -31.97 16.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.87 -28.71 68.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.427 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 92.7 mt-30 -91.33 -39.3 12.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.5 mt -58.9 -36.12 59.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 9.8 pt-20 -62.18 -43.4 98.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.544 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.23 -29.57 48.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.444 ' HG ' HD13 ' A' ' 44' ' ' ILE . 14.1 mt -75.53 -24.94 56.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -80.01 -42.81 23.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -59.8 -35.28 74.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -78.33 -21.26 49.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 9.9 t80 -84.08 -39.76 19.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -60.61 -17.02 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -100.84 -38.89 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 t -152.4 127.11 9.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -78.07 -14.94 59.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -127.69 80.15 72.41 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.737 0.779 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.487 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.9 Cg_endo -69.69 103.28 1.13 Allowed 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.782 2.321 . . . . 0.0 112.369 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.86 176.81 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 p -54.16 -34.4 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -68.03 -19.98 64.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -93.48 -51.96 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.536 ' HG2' HG21 ' A' ' 51' ' ' ILE . 23.6 mtm-85 -60.58 -36.06 77.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.47 -57.77 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -54.81 -47.38 74.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tp -63.63 -42.63 98.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.538 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -45.36 -42.74 10.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.069 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.21 -16.77 45.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -78.67 -35.18 45.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.886 HD12 HD12 ' A' ' 46' ' ' LEU . 2.3 pt -115.94 8.59 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.182 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 t0 57.43 43.26 23.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.886 HD12 HD12 ' A' ' 44' ' ' ILE . 16.7 mt -120.15 145.61 40.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.654 0.74 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.469 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.81 138.65 38.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -50.38 -18.64 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.07 -36.48 35.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.469 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 6.6 mmt-85 -66.67 -54.74 19.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.536 HG21 ' HG2' ' A' ' 37' ' ' ARG . 31.9 mt -43.75 -44.62 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.436 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.4 mt-30 -51.16 -48.57 61.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 56' ' ' SER . 23.9 t -65.19 -62.89 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.555 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 71.1 t90 -40.77 -37.63 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.487 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 9.0 m-85 -78.23 -37.55 45.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' VAL . 33.4 t -59.91 -46.95 87.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -69.32 -35.01 75.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 26.4 mmt-85 -56.95 -53.48 57.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -41.48 -45.47 3.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.52 -34.27 77.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' ARG . 12.7 ttmm -75.63 -26.39 57.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -84.53 -42.58 15.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -66.3 -38.93 88.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -39.26 72.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.79 -55.3 7.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.19 -32.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -61.92 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.7 mt -38.94 -40.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -71.86 -50.79 26.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -53.33 -28.4 28.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -71.09 -43.3 67.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -30.73 70.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.818 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.402 ' C ' ' HD3' ' A' ' 73' ' ' ARG . 0.5 OUTLIER -101.35 166.32 10.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -79.35 124.98 28.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.5 t -155.47 146.46 22.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.54 146.24 21.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 166.33 27.99 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.756 2.304 . . . . 0.0 112.301 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 85.7 p -108.11 158.58 17.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' GLY . 73.6 p -44.07 157.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -108.91 148.24 30.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.911 0.386 . . . . 0.0 110.898 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 t -44.52 153.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.41 95.87 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.557 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.1 m -100.56 96.87 7.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -91.99 152.05 20.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.09 138.76 10.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -173.29 105.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -53.98 161.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -106.51 -56.88 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 12' ' ' THR . 9.7 tpp85 -65.6 150.28 48.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 48.7 m -83.96 100.16 10.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.112 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 m -73.87 -59.29 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -68.14 173.33 4.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 p -119.84 154.6 34.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -52.05 -30.48 25.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -66.75 -30.44 70.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 80.6 mt-30 -91.28 -43.05 10.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.1 mt -55.39 -37.86 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -59.02 -43.36 91.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.623 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -77.95 -30.71 50.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.153 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.438 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 7.7 mt -74.07 -22.66 59.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -86.03 -40.47 15.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -60.07 -33.44 72.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -78.36 -25.54 46.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 7.2 t80 -79.37 -42.46 25.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -56.43 -22.73 33.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -96.87 -44.42 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -146.23 129.1 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.182 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -80.02 -14.09 58.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -130.6 80.62 69.68 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.717 0.77 . . . . 0.0 110.939 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.429 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 54.4 Cg_endo -69.83 104.39 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.599 2.199 . . . . 0.0 112.37 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -48.74 176.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.65 -35.99 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -67.34 -18.43 65.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.429 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -93.92 -52.81 4.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.45 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 42.8 mtm-85 -58.62 -35.33 72.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -68.66 -57.39 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -54.16 -43.36 70.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tp -69.42 -37.11 77.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.33 -37.61 5.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.38 -17.01 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -72.23 -27.01 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.653 HD12 HD12 ' A' ' 46' ' ' LEU . 1.2 pt -126.15 -4.0 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.5 t0 70.78 44.85 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.653 HD12 HD12 ' A' ' 44' ' ' ILE . 24.9 mt -123.76 148.33 56.1 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.482 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.0 Cg_endo -69.7 138.57 38.33 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 8.2 tt0 -49.65 -18.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.73 -40.36 29.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.482 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 11.1 mmt85 -61.78 -52.76 62.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.802 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.421 HG21 ' HG2' ' A' ' 37' ' ' ARG . 50.1 mt -46.24 -48.37 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.45 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.0 mt-30 -49.12 -51.11 33.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.2 t -61.39 -60.58 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.558 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 60.8 t90 -43.83 -38.37 3.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -77.02 -33.86 57.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.8 t -64.44 -46.84 81.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -65.97 -43.21 88.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 41.9 mmt-85 -50.05 -54.24 21.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -42.05 -36.79 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.05 -42.03 90.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -75.03 -34.71 61.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -70.98 -42.15 70.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.9 mtp85 -71.12 -34.59 71.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -76.08 -39.65 54.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.494 ' HA ' HD12 ' A' ' 68' ' ' LEU . 5.8 mt-10 -69.89 -53.97 15.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -35.01 -35.43 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -75.37 -56.44 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 65' ' ' GLU . 17.7 mt -47.04 -41.07 16.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -52.12 -39.03 59.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -66.81 -32.35 73.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -66.55 -12.52 58.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 74' ' ' GLN . 14.6 tpt180 -106.62 21.07 18.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER 33.97 33.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 72' ' ' ARG . 51.9 tt0 -84.17 -55.51 4.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.3 m -133.54 156.67 47.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.35 176.23 38.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.73 4.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.3 t -88.95 133.3 34.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 t -102.88 112.88 25.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -132.67 149.73 52.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.885 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 t -48.11 145.19 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.33 76.3 0.33 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -97.57 141.69 30.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.378 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -120.35 177.43 5.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.65 -105.24 0.49 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.44 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -97.73 107.56 20.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.766 0.317 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -70.48 -52.95 18.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -136.29 124.73 23.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -97.94 129.88 44.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.812 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.2 p -87.7 116.37 25.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m -119.89 -56.95 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -94.7 166.24 12.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.1 p -112.5 153.41 27.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.39 -29.31 23.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.22 -29.53 67.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.441 ' HA ' HG22 ' A' ' 44' ' ' ILE . 93.0 mt-30 -90.86 -37.74 13.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.9 mt -62.14 -28.16 43.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -68.88 -40.73 79.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.708 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.53 -31.99 47.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.454 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 10.5 mt -73.39 -24.93 60.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -80.63 -44.14 19.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -61.37 -28.2 69.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -82.97 -24.92 32.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 11.8 t80 -85.53 -39.22 17.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.11 -26.29 66.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.56 -49.27 6.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.2 t -139.89 123.18 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -74.23 -12.84 60.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -126.18 80.65 68.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.679 0.752 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.71 95.13 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.95 174.53 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -54.23 -32.56 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -69.98 -17.92 63.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.45 -49.13 5.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 52.2 mtm-85 -64.33 -38.68 91.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.47 -53.72 38.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -61.53 -43.63 98.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tp -66.48 -38.25 86.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -47.85 -36.84 12.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.144 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.28 -16.75 30.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -76.32 -33.72 59.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.744 HD12 HD12 ' A' ' 46' ' ' LEU . 3.8 pt -118.51 6.83 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 57.17 51.03 10.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.744 HD12 HD12 ' A' ' 44' ' ' ILE . 28.0 mt -130.57 149.24 72.93 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.534 0.683 . . . . 0.0 110.971 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.479 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.83 136.94 34.08 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.729 2.286 . . . . 0.0 112.36 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.457 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 8.0 tt0 -48.38 -19.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.71 -38.6 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.479 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.4 mmt85 -62.57 -53.27 57.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.0 mt -45.8 -49.4 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.46 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.5 mt-30 -47.99 -53.01 17.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.6 t -58.11 -58.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.541 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 56.6 t90 -47.28 -32.48 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 7.2 m-85 -81.06 -39.93 24.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.4 t -54.36 -54.67 37.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -59.54 -36.19 75.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.582 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 8.2 mmm180 -59.53 -53.94 52.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -46.19 -41.77 13.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.45 -42.7 74.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -71.46 -19.01 62.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -90.94 -48.35 7.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.1 mtt-85 -62.65 -29.64 70.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -80.12 -38.3 31.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -73.47 -52.94 11.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.27 -44.05 3.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -59.73 -48.7 80.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.3 mt -41.64 -48.07 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.7 ttp85 -49.0 -50.44 35.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -55.65 -33.72 64.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -68.13 -8.02 34.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.994 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -106.58 11.52 30.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -50.68 98.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 50.27 45.03 26.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.6 t -79.63 98.01 6.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.84 -159.15 14.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.439 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' SER . 53.0 Cg_endo -69.8 -33.07 17.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.264 . . . . 0.0 112.338 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' PRO . 87.3 p -36.79 103.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t 43.98 48.27 7.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.512 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 t -40.61 144.36 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.9 0.381 . . . . 0.0 110.83 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -121.48 172.7 7.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.18 128.39 7.95 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -72.34 -4.13 28.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.913 0.387 . . . . 0.0 110.84 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -121.22 97.64 5.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.82 90.98 0.11 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -146.41 162.3 38.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.323 . . . . 0.0 110.967 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 55.34 42.15 30.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -84.47 102.14 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -121.8 100.04 6.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.5 m -59.6 111.48 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.2 m -85.46 -61.66 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -63.33 169.78 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.5 p -110.71 154.2 24.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -31.08 33.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -67.76 -30.13 69.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 82.7 mt-30 -90.57 -38.43 13.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.7 mt -60.24 -32.36 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -65.45 -40.98 93.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.649 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -80.66 -29.67 36.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.573 HD13 ' CD1' ' A' ' 54' ' ' TRP . 10.5 mt -75.87 -25.13 55.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.68 -46.64 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -57.46 -43.12 83.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -64.42 -34.38 78.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 14.7 t80 -73.51 -45.35 54.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.4 -31.88 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -86.5 -45.32 11.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.833 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -144.05 124.83 14.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -75.58 -12.11 60.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.848 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -127.56 83.15 66.82 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.656 0.741 . . . . 0.0 110.913 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.569 ' HD3' ' CD2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.69 96.11 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.69 2.26 . . . . 0.0 112.388 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -51.64 177.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.0 p -53.41 -38.14 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -66.78 -21.77 66.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.08 -45.83 8.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.634 ' HG2' HG21 ' A' ' 51' ' ' ILE . 28.4 mtm180 -63.01 -43.7 98.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.27 -58.7 6.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -52.43 -44.97 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 tp -68.59 -39.63 80.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.72 -37.94 6.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.071 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.07 -20.34 22.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -69.93 -31.89 69.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.865 HD12 HD12 ' A' ' 46' ' ' LEU . 3.0 pt -120.77 -3.83 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 t0 68.55 44.84 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.865 HD12 HD12 ' A' ' 44' ' ' ILE . 17.0 mt -122.05 149.32 53.84 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.57 0.7 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.491 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.76 135.66 31.03 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.658 2.239 . . . . 0.0 112.335 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' CG ' ' HB3' ' A' ' 37' ' ' ARG . 5.1 tt0 -46.0 -29.29 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.69 -39.94 80.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.491 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 8.1 mmt85 -63.0 -55.69 23.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.634 HG21 ' HG2' ' A' ' 37' ' ' ARG . 51.3 mt -41.0 -46.36 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.498 ' CD ' ' NH1' ' A' ' 37' ' ' ARG . 13.2 mt-30 -48.67 -59.12 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -53.19 -60.88 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.573 ' CD1' HD13 ' A' ' 22' ' ' LEU . 9.9 t90 -41.0 -43.56 2.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CD2' ' HD3' ' A' ' 32' ' ' PRO . 12.3 m-85 -75.34 -38.18 60.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.5 t -57.71 -52.36 65.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -66.01 -35.82 81.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.52 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 21.4 tpt85 -54.21 -48.51 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -47.46 -42.99 23.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.08 75.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -77.92 -23.52 48.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -86.76 -48.72 8.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.5 mtp85 -61.87 -39.25 91.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -69.87 -40.57 75.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 66' ' ' GLU . 9.3 mt-10 -69.31 -57.78 4.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -36.42 -40.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -64.99 -54.1 35.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 70.3 mt -40.33 -45.02 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.986 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -58.64 -51.98 67.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -57.7 -45.44 85.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -48.65 -42.49 34.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 73' ' ' ARG . 66.0 mtt85 -112.31 21.53 15.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' ARG . 11.9 tpp180 -37.34 131.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -41.93 -61.48 1.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 64.5 m -39.77 118.37 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.59 83.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 92.71 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.309 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t 64.79 37.01 7.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.1 t -145.95 145.73 30.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.79 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.545 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 t -59.42 142.49 52.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.914 0.387 . . . . 0.0 110.862 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 m -120.01 166.41 13.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.51 150.34 7.9 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -95.32 159.65 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.934 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 p -156.73 120.77 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.55 124.33 5.22 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -99.77 57.98 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -117.09 119.54 35.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -149.38 146.64 27.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -112.78 134.34 54.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 t -59.66 -34.58 73.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.089 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.519 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 14.2 m 67.0 39.84 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 13' ' ' SER . 81.0 m-85 -161.48 174.03 14.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.2 p -119.31 152.38 36.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -48.49 -30.41 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -66.86 -32.28 73.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -90.5 -41.66 11.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.4 mt -55.13 -35.9 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -62.45 -44.42 96.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.593 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -76.63 -31.32 57.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.599 HD13 ' CD1' ' A' ' 54' ' ' TRP . 12.2 mt -73.53 -23.61 60.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.484 ' CD ' ' NH2' ' A' ' 58' ' ' ARG . 11.7 mt-10 -83.99 -42.34 16.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -59.42 -36.63 76.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -76.05 -23.69 55.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 52.7 t80 -82.2 -41.07 20.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -60.4 -24.53 65.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -90.78 -40.44 11.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.8 t -150.97 122.17 7.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -71.32 -12.99 61.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -134.22 80.69 52.25 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.731 0.777 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.79 101.79 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.722 2.281 . . . . 0.0 112.353 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -46.78 173.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.7 p -53.82 -33.7 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -68.42 -17.92 64.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -94.08 -53.03 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.462 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 61.0 mtm-85 -56.76 -38.48 72.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.85 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -63.6 -57.32 10.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -54.13 -45.49 71.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.65 -38.38 86.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.17 -40.93 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.11 -15.08 34.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -75.0 -31.2 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.634 HD12 HD12 ' A' ' 46' ' ' LEU . 1.5 pt -122.67 2.97 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 t70 62.07 48.17 5.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.634 HD12 HD12 ' A' ' 44' ' ' ILE . 23.6 mt -126.46 149.71 68.42 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.588 0.709 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.481 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.5 Cg_endo -69.74 139.71 40.97 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.771 2.314 . . . . 0.0 112.283 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -51.92 -16.95 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.08 -33.34 29.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.481 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 14.4 mmt-85 -68.44 -51.79 39.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.0 mt -46.25 -50.88 4.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.462 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.3 mt-30 -46.7 -52.57 13.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.3 t -58.89 -55.39 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.599 ' CD1' HD13 ' A' ' 22' ' ' LEU . 12.5 t90 -49.76 -35.84 23.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.0 m-85 -77.14 -38.34 52.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.7 t -54.98 -57.88 9.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -61.51 -33.1 73.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.484 ' NH2' ' CD ' ' A' ' 23' ' ' GLU . 20.7 tpt180 -57.54 -52.33 65.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -47.86 -40.05 20.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.47 -44.82 85.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 51.4 tttt -65.83 -34.64 78.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -74.57 -50.54 17.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -58.11 -45.74 86.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.414 ' CG ' ' N ' ' A' ' 65' ' ' GLU . 4.0 ptp180 -63.42 -43.18 98.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.63 ' HA ' HD12 ' A' ' 68' ' ' LEU . 10.5 mm-40 -64.74 -59.24 4.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -34.92 -38.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -74.22 -55.96 5.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 65' ' ' GLU . 5.9 mt -52.4 -34.94 50.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -50.81 -27.99 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -75.54 -40.31 57.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -83.35 -8.5 59.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 73' ' ' ARG . 5.5 tpt180 -108.87 19.92 19.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 72' ' ' ARG . 2.2 mmp_? -34.44 122.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -54.25 113.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.9 p -71.83 174.09 7.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.8 164.5 0.81 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.539 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 133.78 26.41 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.647 2.231 . . . . 0.0 112.418 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.6 t -91.57 141.58 28.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.4 p -69.87 99.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.548 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.411 -0.276 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -130.96 155.14 47.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.0 p -105.58 174.58 5.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.46 163.49 12.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -151.44 152.97 33.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.379 . . . . 0.0 110.833 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 p -148.35 123.04 9.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.17 127.11 1.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -83.86 148.1 27.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' C ' ' HD2' ' A' ' 9' ' ' ARG . 8.1 ppt_? -159.93 163.87 33.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.65 164.16 39.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.2 mmt-85 -145.41 124.11 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.3 p -90.48 92.23 8.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.5 m -92.29 -48.79 6.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -88.68 170.78 10.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.7 p -115.55 150.56 36.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.119 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -48.83 -38.78 23.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -59.65 -30.7 68.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.533 ' HA ' HG22 ' A' ' 44' ' ' ILE . 92.1 mt-30 -89.28 -37.24 15.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.96 -36.06 69.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 8.2 pt-20 -61.88 -40.97 97.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.72 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -82.15 -26.7 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.047 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.556 ' HG ' HD13 ' A' ' 44' ' ' ILE . 15.3 mt -78.0 -25.29 47.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -79.56 -42.36 25.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -59.04 -44.31 91.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.541 ' OE1' HG22 ' A' ' 29' ' ' THR . 8.6 tp10 -63.76 -33.62 76.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 4.6 t80 -71.03 -44.98 64.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -52.48 -36.12 54.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -80.8 -46.59 15.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.541 HG22 ' OE1' ' A' ' 25' ' ' GLU . 8.5 t -145.36 125.17 13.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -72.26 -15.35 61.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -129.78 81.38 69.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.701 0.762 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.547 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.81 99.48 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -50.04 174.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.4 p -50.94 -39.24 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -61.68 -22.76 65.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.24 -49.78 5.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.479 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 52.8 mtm-85 -59.4 -38.43 80.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.98 -57.07 9.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.34 -44.17 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.824 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.671 HD12 ' HE2' ' A' ' 43' ' ' LYS . 1.4 tp -67.99 -40.04 83.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.44 -34.93 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.03 -17.36 25.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.671 ' HE2' HD12 ' A' ' 40' ' ' LEU . 13.9 ttpt -78.06 -34.57 50.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.887 HD12 HD12 ' A' ' 46' ' ' LEU . 5.1 pt -113.59 -3.3 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 t0 65.29 42.97 3.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.887 HD12 HD12 ' A' ' 44' ' ' ILE . 18.6 mt -122.38 150.28 57.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.61 0.719 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.485 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.2 Cg_endo -69.71 134.64 28.58 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -46.23 -23.42 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.58 -40.55 61.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.485 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.3 mmt180 -62.4 -54.33 41.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.466 HG21 ' HG2' ' A' ' 37' ' ' ARG . 62.1 mt -43.6 -47.04 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.479 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 4.4 mt-30 -50.64 -52.78 36.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.98 -60.66 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.575 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 62.8 t90 -42.48 -40.02 2.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.547 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.1 m-85 -74.51 -40.42 61.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.3 m -54.93 -56.72 16.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -56.99 -43.14 81.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.575 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 21.2 mmt180 -51.36 -54.7 23.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -39.8 -44.47 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.67 -37.96 87.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 39.4 tttp -72.97 -31.35 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -78.61 -47.75 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -59.22 -38.32 79.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -72.67 -40.55 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 61' ' ' LYS . 8.1 mm-40 -66.88 -54.83 18.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.4 OUTLIER -35.31 -43.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -70.43 -57.67 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.9 mt -47.63 -39.17 16.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -74.41 -47.12 35.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -46.95 -40.17 13.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -59.09 -41.72 88.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.6 ttt-85 -57.7 -34.11 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -38.28 149.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -38.07 120.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.459 ' CB ' ' HB2' ' A' ' 78' ' ' SER . 1.8 m -166.21 134.41 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.468 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -74.55 -60.34 3.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.439 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 76' ' ' GLY . 54.2 Cg_endo -69.77 -7.6 21.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.459 ' HB2' ' CB ' ' A' ' 75' ' ' SER . 3.3 t -50.16 -46.97 54.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.9 t -88.45 143.86 26.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 t -137.19 138.52 40.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.949 0.404 . . . . 0.0 110.806 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 p -69.21 150.81 47.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.931 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.82 66.55 0.24 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 6' ' ' SER . 50.1 m -67.79 110.53 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 5' ' ' SER . 18.8 m 38.23 41.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.22 -66.23 0.23 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.446 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -61.7 -55.47 30.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -115.69 92.45 3.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -45.67 -59.85 2.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 42.22 39.47 1.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -119.62 130.77 55.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 m -90.14 -39.62 12.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.815 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -64.49 171.76 3.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 p -120.09 153.47 36.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.11 -36.76 31.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -64.08 -29.06 70.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.473 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 87.7 mt-30 -90.51 -35.55 15.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.64 -27.1 42.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -71.28 -39.96 71.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.611 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -80.63 -28.23 37.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 44' ' ' ILE . 10.2 mt -76.24 -26.78 56.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -79.78 -44.21 21.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -56.51 -38.45 71.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -70.77 -30.56 67.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -71.31 -47.57 55.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.72 -34.65 39.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -81.64 -47.26 13.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 t -145.06 125.34 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -73.94 -16.33 61.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.772 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -131.78 81.05 64.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.653 0.74 . . . . 0.0 110.959 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.458 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.73 105.41 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -52.7 -179.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.4 p -56.97 -35.08 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -67.12 -19.7 65.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -94.12 -51.21 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.44 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 48.2 mtm-85 -60.41 -31.96 70.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.67 -52.09 23.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -60.74 -42.83 98.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.824 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 tp -68.45 -40.52 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -46.36 -34.01 4.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.12 -17.07 25.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -74.94 -30.1 61.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.611 ' CG2' ' HB3' ' A' ' 21' ' ' ALA . 1.1 pt -122.05 1.1 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.1 t0 63.97 49.68 2.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.583 HD12 HD12 ' A' ' 44' ' ' ILE . 19.4 mt -127.3 150.21 71.86 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.606 0.717 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.67 138.7 38.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.401 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 5.6 tt0 -50.72 -17.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.7 -37.51 30.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.477 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 6.3 mmt-85 -62.45 -55.19 30.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.2 mt -45.02 -49.65 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.44 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.4 mt-30 -46.81 -49.24 20.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 56' ' ' SER . 41.7 t -63.03 -64.5 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.148 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 74.7 t90 -38.23 -44.43 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.997 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -69.79 -42.43 73.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' VAL . 3.8 t -51.93 -52.47 49.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -62.19 -40.05 94.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 36.3 mmt-85 -55.49 -54.44 43.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -42.1 -39.06 1.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.53 -35.92 73.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' ARG . 52.3 tttt -78.04 -21.47 50.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -88.76 -47.0 8.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.967 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -64.65 -32.69 74.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -76.72 -39.07 53.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 68' ' ' LEU . 9.6 mt-10 -74.5 -58.74 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -35.82 -36.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.911 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -69.12 -48.48 62.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 65' ' ' GLU . 18.3 mt -54.65 -32.89 59.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -58.72 -51.7 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.821 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -59.84 -37.72 80.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -60.47 -17.88 47.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -87.43 -31.59 19.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.1 ttt85 -42.0 140.59 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.1 92.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.1 p -147.2 121.13 9.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -43.05 157.55 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.532 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.93 67.61 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.1 m -110.64 -52.38 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.2 m 57.15 42.27 25.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -161.12 133.89 6.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 p -101.29 120.75 40.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.33 -149.45 45.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -112.4 157.13 21.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.823 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 p -51.56 -54.23 29.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.22 82.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.442 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -96.36 83.99 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -138.35 148.23 44.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -166.12 131.39 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' N ' ' HD3' ' A' ' 11' ' ' ARG . 1.2 mpp_? -99.77 101.24 12.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.1 m -52.89 105.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -90.99 -57.93 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -68.8 161.62 28.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 t -113.23 150.14 32.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -41.83 -41.05 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -55.96 -39.17 71.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.438 ' NE2' ' HG ' ' A' ' 46' ' ' LEU . 81.8 mt-30 -85.75 -34.42 21.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.62 -37.87 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 7.3 pt-20 -61.97 -40.58 96.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.758 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -79.78 -30.05 40.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 54' ' ' TRP . 10.3 mt -74.96 -27.08 60.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -81.84 -44.49 16.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -58.91 -47.72 84.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.1 -33.24 64.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE1' ' CD2' ' A' ' 30' ' ' HIS . 7.5 t80 -72.25 -42.32 65.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -53.18 -29.67 33.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -89.68 -44.77 9.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.1 t -145.22 123.24 12.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.567 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 22.9 m170 -73.47 -12.98 60.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -134.34 80.95 50.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.718 0.771 . . . . 0.0 110.907 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 100.36 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.653 2.235 . . . . 0.0 112.422 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -48.89 175.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.8 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.1 p -52.76 -38.32 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -63.5 -22.36 66.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.978 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.46 -51.27 5.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.467 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 53.7 mtm-85 -60.35 -34.88 74.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.12 -55.61 15.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -57.37 -45.76 84.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.9 -38.45 91.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.45 -35.91 13.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.52 -15.78 32.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -80.52 -40.9 25.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.904 HD12 HD12 ' A' ' 46' ' ' LEU . 11.8 pt -107.74 8.08 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 54.52 50.59 15.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.904 HD12 HD12 ' A' ' 44' ' ' ILE . 17.1 mt -131.59 149.83 74.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.45 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.3 Cg_endo -69.75 139.76 41.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.238 . . . . 0.0 112.354 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -50.8 -18.12 0.68 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.46 -38.61 29.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.45 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.0 mmt180 -62.86 -53.48 53.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.5 mt -45.44 -48.4 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.192 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.467 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.7 mt-30 -48.19 -50.98 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.923 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.2 t -60.53 -62.37 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.175 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.553 ' CD1' HD13 ' A' ' 22' ' ' LEU . 12.9 t90 -40.63 -42.35 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -73.56 -44.95 56.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.1 t -50.37 -51.31 47.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -69.2 -25.04 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.517 ' NH2' ' CE2' ' A' ' 54' ' ' TRP . 10.8 tpp180 -69.75 -49.09 56.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -47.61 -45.31 27.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.45 97.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -69.47 -27.09 64.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -81.74 -45.33 15.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -65.39 -35.71 81.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -74.88 -39.85 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.592 ' HA ' HD12 ' A' ' 68' ' ' LEU . 8.1 mt-10 -70.92 -57.81 4.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' GLU . 3.7 tt0 -35.35 -31.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 65' ' ' GLU . 8.1 tmtm? -81.16 -52.13 7.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 65' ' ' GLU . 10.6 mt -54.53 -34.53 61.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -58.53 -22.83 56.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -81.92 -20.47 38.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -75.55 -0.54 20.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.976 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -108.37 -0.05 20.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.3 ttt85 -48.8 134.58 16.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -44.05 152.52 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -145.68 148.12 32.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.61 169.35 2.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.558 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -9.51 26.28 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.591 2.194 . . . . 0.0 112.376 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.8 m -55.42 89.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.0 m -133.64 170.39 15.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 m -55.72 121.81 9.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -92.77 -49.36 6.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.37 -170.36 1.81 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.557 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -101.4 155.45 18.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.858 0.361 . . . . 0.0 110.845 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 m -133.86 130.06 37.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.801 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.25 116.92 3.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.499 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -95.54 -50.71 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.953 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -165.7 131.89 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -136.79 161.94 34.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -104.31 163.03 12.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.447 HG21 HD11 ' A' ' 19' ' ' ILE . 47.7 m -109.1 -50.06 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.504 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 3.2 m 65.91 38.4 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.504 ' CG ' ' O ' ' A' ' 13' ' ' SER . 75.6 m-85 -161.21 165.84 28.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.3 p -108.78 162.24 14.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.14 -32.31 68.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.8 -26.88 66.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.477 ' HA ' HG22 ' A' ' 44' ' ' ILE . 84.2 mt-30 -91.97 -38.56 12.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.447 HD11 HG21 ' A' ' 12' ' ' THR . 12.4 mt -61.01 -32.98 54.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 7.9 pt-20 -64.79 -42.56 94.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.788 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.71 -31.11 46.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.877 HD13 ' CD1' ' A' ' 54' ' ' TRP . 12.2 mt -75.22 -24.29 57.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -81.95 -44.32 16.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -58.94 -47.51 84.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.479 ' OE1' HG22 ' A' ' 29' ' ' THR . 8.4 tp10 -60.43 -36.21 77.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 14.8 t80 -68.94 -42.26 76.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.87 -31.43 59.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -87.58 -45.0 10.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.479 HG22 ' OE1' ' A' ' 25' ' ' GLU . 8.4 t -145.68 125.36 13.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -76.5 -13.66 60.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -125.73 82.59 63.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.684 0.754 . . . . 0.0 110.957 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.433 ' HD3' ' CD2' ' A' ' 55' ' ' PHE . 54.0 Cg_endo -69.77 98.86 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.66 2.24 . . . . 0.0 112.33 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -54.57 176.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -51.42 -38.95 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -66.97 -21.43 65.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.07 -46.29 7.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.643 ' HG2' HG21 ' A' ' 51' ' ' ILE . 33.3 mtm180 -62.26 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -61.55 -59.28 5.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -51.79 -46.62 64.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 tp -65.85 -41.9 91.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.76 -37.91 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.25 -18.15 30.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -76.94 -34.86 57.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.788 ' CG2' ' HB3' ' A' ' 21' ' ' ALA . 4.8 pt -116.59 5.05 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.185 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 t70 56.37 54.11 7.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.715 HD12 HD12 ' A' ' 44' ' ' ILE . 18.0 mt -131.57 149.64 74.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.731 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.493 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.0 Cg_endo -69.75 135.02 29.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.45 ' OE2' ' NH2' ' A' ' 37' ' ' ARG . 8.7 tt0 -44.93 -28.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.45 -38.9 78.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.493 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.3 mmt180 -64.28 -54.95 25.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.643 HG21 ' HG2' ' A' ' 37' ' ' ARG . 40.5 mt -40.95 -46.36 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.501 ' CD ' ' NH1' ' A' ' 37' ' ' ARG . 12.9 mt-30 -48.26 -59.79 3.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.2 t -52.62 -60.99 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.877 ' CD1' HD13 ' A' ' 22' ' ' LEU . 8.9 t90 -40.21 -44.18 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.433 ' CD2' ' HD3' ' A' ' 32' ' ' PRO . 12.4 m-85 -75.29 -37.81 60.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.6 t -55.37 -55.3 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -62.88 -40.22 96.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 26' ' ' PHE . 7.5 tpt180 -50.94 -54.28 25.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -41.51 -41.95 2.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.98 -45.21 82.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 31.6 tttm -65.59 -33.29 75.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.465 ' CZ2' ' HG2' ' A' ' 66' ' ' GLU . 88.7 t90 -76.02 -52.78 9.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 -56.07 -46.19 79.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.423 ' CG ' ' N ' ' A' ' 65' ' ' GLU . 12.5 ptp180 -62.49 -43.58 98.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 61' ' ' LYS . 4.9 mm-40 -63.67 -59.94 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.465 ' HG2' ' CZ2' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -46.79 -30.18 2.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -67.54 -53.43 28.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.5 mt -49.17 -26.34 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -79.12 -50.94 10.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -55.82 -38.38 69.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 17.9 pt20 -69.13 -40.34 78.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.477 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -68.45 -31.81 71.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -53.77 150.56 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -114.68 101.0 8.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.7 p -159.67 130.3 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.3 -95.02 0.24 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.429 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 127.29 14.39 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.627 2.218 . . . . 0.0 112.389 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.8 p -44.92 107.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.9 t -40.68 129.36 2.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.778 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.57 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -114.6 -50.13 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.912 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 m -90.85 112.02 23.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.49 -160.87 27.04 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.522 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 p -63.6 176.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.875 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 p -84.56 -47.22 10.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.91 -139.33 5.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -83.52 108.47 16.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 110.932 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -64.5 138.04 58.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.412 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 7.8 t-20 -85.32 37.48 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' N ' ' HD3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -164.42 145.0 7.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.693 ' O ' HG23 ' A' ' 12' ' ' THR . 11.1 t -94.67 71.14 3.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.109 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 p -41.22 -40.07 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -125.21 160.48 29.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.9 p -105.43 151.53 24.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -51.45 -29.91 17.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -69.01 -29.02 67.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.46 ' NE2' ' HG ' ' A' ' 46' ' ' LEU . 95.8 mt-30 -90.44 -37.07 14.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.2 mt -60.48 -33.97 56.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.06 -43.08 99.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.724 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.73 -31.91 46.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.588 HD13 ' CD1' ' A' ' 54' ' ' TRP . 13.8 mt -72.19 -22.76 61.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -83.29 -48.4 10.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -53.87 -48.49 69.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.573 ' OE2' HG22 ' A' ' 29' ' ' THR . 9.1 tp10 -57.5 -36.58 71.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.437 ' CE1' ' CD2' ' A' ' 30' ' ' HIS . 6.7 t80 -66.53 -44.49 82.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -52.35 -35.22 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -81.36 -47.06 13.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.573 HG22 ' OE2' ' A' ' 25' ' ' GLU . 4.2 t -144.1 121.65 11.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.437 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 23.8 m170 -70.4 -13.11 62.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -133.06 81.5 57.08 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.657 0.741 . . . . 0.0 110.872 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.552 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.8 Cg_endo -69.75 102.16 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -55.09 179.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.0 p -54.87 -37.45 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.5 -22.79 67.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.24 -52.21 4.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.578 ' HG2' HG21 ' A' ' 51' ' ' ILE . 54.0 mtm-85 -59.08 -38.86 80.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.89 -57.66 9.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -55.43 -43.94 75.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 tp -67.22 -37.76 84.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.41 -38.76 4.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.09 -14.54 29.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -77.81 -32.13 52.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.797 HD12 HD12 ' A' ' 46' ' ' LEU . 14.7 pt -118.51 -3.51 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 t70 66.88 52.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.797 HD12 HD12 ' A' ' 44' ' ' ILE . 18.2 mt -134.49 149.41 70.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.597 0.713 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.469 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.6 Cg_endo -69.73 134.77 28.85 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -45.33 -26.97 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.69 -42.32 70.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.037 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.469 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 8.9 mmt85 -60.91 -55.35 34.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.578 HG21 ' HG2' ' A' ' 37' ' ' ARG . 55.1 mt -42.6 -45.46 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.461 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 6.2 mt-30 -51.42 -53.95 31.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.21 -59.67 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.588 ' CD1' HD13 ' A' ' 22' ' ' LEU . 16.5 t90 -43.14 -44.71 5.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.552 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.4 m-85 -70.51 -41.24 72.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.0 t -53.67 -57.78 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -57.41 -37.52 72.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.4 tpt85 -54.72 -52.52 62.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -42.93 -43.02 3.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.48 -38.14 88.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.051 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -72.93 -27.68 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -81.15 -51.11 8.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -58.99 -38.56 79.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -68.85 -41.26 78.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.606 ' HA ' HD12 ' A' ' 68' ' ' LEU . 6.1 mt-10 -68.93 -58.14 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -40.65 -38.02 0.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.8 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -65.17 -46.95 78.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.606 HD12 ' HA ' ' A' ' 65' ' ' GLU . 15.0 mt -53.86 -30.63 46.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.6 mmm-85 -60.89 -45.2 95.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -62.94 -25.73 68.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -73.91 -28.91 61.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -105.43 17.71 23.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -45.11 158.22 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 46.96 41.84 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.6 t -63.8 -47.59 80.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -129.88 143.67 14.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 86.11 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.701 2.267 . . . . 0.0 112.36 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.6 p -129.96 163.03 27.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.9 t -54.83 128.25 32.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -133.42 156.2 48.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.855 0.36 . . . . 0.0 110.914 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 m -114.54 170.9 7.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.36 103.49 1.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.447 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -122.2 120.88 35.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m 48.22 42.25 17.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.8 100.7 2.69 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.528 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 9' ' ' ARG . 26.3 mt-30 -59.85 167.4 2.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.342 . . . . 0.0 110.913 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' GLN . 7.5 ptm180 -36.88 143.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -104.28 166.43 10.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -123.79 126.57 46.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.4 p -93.85 121.3 35.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.1 m -87.42 -50.18 6.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -51.16 173.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 p -120.7 155.19 34.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -52.08 -30.29 25.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.45 -30.19 69.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.419 ' HA ' HG22 ' A' ' 44' ' ' ILE . 90.5 mt-30 -91.41 -40.54 11.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.7 mt -57.96 -35.1 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -62.02 -44.36 96.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.707 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -77.14 -32.88 56.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.436 ' HG ' HD13 ' A' ' 44' ' ' ILE . 10.6 mt -71.91 -25.49 61.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -83.14 -43.98 15.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -59.0 -29.42 67.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -81.81 -24.5 35.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -81.84 -37.7 26.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -62.53 -16.58 56.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.3 tpp85 -101.17 -41.68 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.1 t -147.98 128.38 13.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -78.03 -15.46 58.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -132.93 80.47 60.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.664 0.745 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.5 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.4 Cg_endo -69.79 106.7 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.299 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -48.18 176.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.2 p -57.82 -33.44 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -68.11 -17.83 64.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -93.33 -54.26 3.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.705 HH11 HG22 ' A' ' 51' ' ' ILE . 26.1 mtt-85 -57.43 -35.06 69.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' CG ' ' OE1' ' A' ' 48' ' ' GLU . 30.1 mt-10 -67.21 -55.1 15.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mmt-85 -57.73 -41.12 81.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.812 HD12 ' HE2' ' A' ' 43' ' ' LYS . 2.8 tp -69.6 -47.48 63.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.689 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -41.66 -36.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.97 -22.33 21.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.812 ' HE2' HD12 ' A' ' 40' ' ' LEU . 24.3 ttpt -72.05 -34.15 68.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.868 HD12 HD12 ' A' ' 46' ' ' LEU . 2.7 pt -112.4 -1.84 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.172 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.5 t0 70.62 35.4 1.88 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.868 HD12 HD12 ' A' ' 44' ' ' ILE . 20.2 mt -117.04 148.01 41.37 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.642 0.734 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.48 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.78 142.42 47.82 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.363 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.445 ' OE1' ' CG ' ' A' ' 38' ' ' GLU . 4.3 tt0 -54.63 -14.64 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.2 -31.57 23.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.48 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 11.3 mmt180 -70.41 -49.74 45.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.705 HG22 HH11 ' A' ' 37' ' ' ARG . 24.7 mt -48.13 -54.56 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.473 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.8 mt-30 -43.0 -43.88 4.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.71 -60.15 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.58 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 41.6 t90 -44.76 -29.9 0.86 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.5 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 9.2 m-85 -83.2 -39.99 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.5 t -55.48 -54.57 42.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -58.44 -37.3 75.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.58 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 10.2 mmt180 -59.04 -52.03 67.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -45.19 -41.73 8.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.26 -35.22 75.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -76.07 -28.52 57.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -83.93 -43.84 14.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -66.27 -36.88 84.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.9 ptt85 -73.95 -39.65 63.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.571 ' HA ' HD12 ' A' ' 68' ' ' LEU . 11.7 mt-10 -68.5 -52.62 30.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 65' ' ' GLU . 1.3 tm-20 -35.4 -36.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 65' ' ' GLU . 4.0 mtmp? -79.6 -55.65 4.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 65' ' ' GLU . 13.2 mt -48.84 -30.63 6.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -67.1 -46.6 73.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -59.02 -34.47 71.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -54.5 -45.17 73.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -67.97 -30.35 69.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HB3' ' NE2' ' A' ' 74' ' ' GLN . 12.6 tpp180 -56.68 153.18 10.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.404 ' NE2' ' HB3' ' A' ' 73' ' ' ARG . 3.6 pm0 38.62 42.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.8 m -39.81 -50.89 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.37 -158.06 30.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.49 28.67 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.625 2.216 . . . . 0.0 112.316 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.2 t -72.95 -48.56 35.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.7 t -69.8 -53.56 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.554 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -49.3 -58.95 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.816 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.6 p -65.67 156.97 31.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.97 -116.48 0.76 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p 42.48 42.01 2.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 t -62.67 -61.86 2.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.82 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.44 159.47 19.84 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.448 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -146.32 159.03 43.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.311 . . . . 0.0 110.943 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.4 ptt-85 -128.84 159.88 34.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -108.29 82.15 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -89.86 147.65 23.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 p -118.05 140.79 49.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.0 m -111.27 -49.86 2.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.494 ' CE1' ' HD2' ' A' ' 50' ' ' ARG . 87.0 m-85 -74.19 170.8 14.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.9 p -113.48 151.28 31.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.47 -26.89 9.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -72.75 -29.97 63.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -89.87 -33.08 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.3 mt -63.36 -40.12 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.072 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.09 -45.23 83.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.717 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -73.55 -30.65 63.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.069 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.8 mt -74.69 -33.32 62.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -75.52 -47.64 26.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -56.35 -39.61 73.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.966 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.475 ' OE1' HG22 ' A' ' 29' ' ' THR . 7.4 tp10 -69.76 -30.49 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -73.86 -40.8 62.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -57.18 -30.09 64.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -87.39 -48.71 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.475 HG22 ' OE1' ' A' ' 25' ' ' GLU . 5.7 t -139.45 123.39 17.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -76.11 -11.62 59.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -132.97 81.8 56.73 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.683 0.754 . . . . 0.0 110.952 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.467 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.5 Cg_endo -69.77 106.88 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.29 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.2 -178.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.8 p -56.35 -35.35 43.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -68.31 -21.48 64.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.01 -49.59 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.463 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 53.8 mtm-85 -60.92 -41.67 96.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.81 -57.53 10.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -54.51 -45.24 73.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.6 -38.34 86.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.43 -40.51 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.45 -17.21 30.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -73.41 -30.21 63.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.74 HD12 HD12 ' A' ' 46' ' ' LEU . 3.1 pt -123.08 3.38 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 60.58 48.89 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 44' ' ' ILE . 16.3 mt -127.0 150.73 72.78 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.601 0.715 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.482 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.1 Cg_endo -69.79 134.58 28.26 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.672 2.248 . . . . 0.0 112.375 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 17.2 tt0 -47.9 -20.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.58 -39.01 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.494 ' HD2' ' CE1' ' A' ' 14' ' ' PHE . 10.5 mmt180 -62.69 -52.83 61.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.7 mt -46.75 -48.61 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.463 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 2.6 mt-30 -48.65 -49.14 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' SER . 21.6 t -64.28 -64.79 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.562 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 48.5 t90 -38.28 -37.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.467 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.4 m-85 -77.45 -40.52 42.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 53' ' ' VAL . 14.6 t -56.97 -54.55 45.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -57.52 -39.58 76.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.562 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 7.7 mmt-85 -55.42 -53.72 52.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -40.54 -40.23 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.82 -36.79 75.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 58' ' ' ARG . 40.2 tttm -74.34 -23.27 59.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -89.34 -45.04 9.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -64.45 -22.3 66.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -87.36 -37.78 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.851 ' HA ' HD12 ' A' ' 68' ' ' LEU . 18.8 mt-10 -75.0 -49.46 19.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -43.03 -29.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.43 -49.84 10.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 65' ' ' GLU . 5.6 mt -54.72 -46.04 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -55.76 -41.6 74.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' OD1' ' C ' ' A' ' 70' ' ' ASN . 0.8 OUTLIER -57.35 -33.25 67.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -59.87 -15.18 19.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -108.53 23.71 14.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.5 tpt85 -121.82 156.94 32.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 51.74 49.87 19.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.3 t -69.9 158.71 35.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.32 167.43 12.12 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 146.6 60.58 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -48.74 156.49 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.844 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 t -39.23 154.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.542 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -97.53 -49.66 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 0.0 110.862 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m 52.3 42.14 30.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.42 97.91 0.51 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m 62.41 41.39 10.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -56.54 -58.81 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.16 -161.26 28.74 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -140.37 138.47 34.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.761 0.315 . . . . 0.0 110.929 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.1 mtp85 -95.32 153.86 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -116.91 -57.28 2.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -92.04 89.69 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.4 p -56.1 116.21 2.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.9 m -49.8 -54.05 21.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -79.33 170.25 16.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.0 p -116.24 153.05 32.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -49.33 -37.27 23.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -60.33 -28.6 68.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -92.01 -47.2 7.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.5 mt -53.32 -35.58 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -62.92 -43.72 98.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.726 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.6 -29.24 45.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.46 ' HG ' HD13 ' A' ' 44' ' ' ILE . 11.9 mt -75.71 -25.26 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.69 -40.7 22.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -60.21 -38.15 82.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -70.05 -29.34 66.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -76.26 -39.97 53.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -56.9 -29.99 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.834 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -89.82 -46.65 8.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.2 t -143.68 127.92 17.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.075 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -77.4 -12.69 59.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -131.61 80.9 65.55 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.629 0.728 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.453 ' HG3' ' CZ ' ' A' ' 55' ' ' PHE . 53.7 Cg_endo -69.86 99.12 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.743 2.296 . . . . 0.0 112.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -48.74 175.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.51 -38.21 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -63.22 -22.42 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.77 -48.45 6.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.527 ' HG2' HG21 ' A' ' 51' ' ' ILE . 55.8 mtm-85 -60.4 -37.5 81.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.72 -56.57 11.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -55.32 -42.7 74.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.877 HD12 ' HE2' ' A' ' 43' ' ' LYS . 2.0 tp -70.2 -39.03 75.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.12 -37.09 9.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.53 -16.46 27.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.877 ' HE2' HD12 ' A' ' 40' ' ' LEU . 19.9 ttpt -75.53 -38.04 59.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.806 HD12 HD12 ' A' ' 46' ' ' LEU . 4.2 pt -112.56 3.57 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.211 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t70 60.99 50.07 5.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.806 HD12 HD12 ' A' ' 44' ' ' ILE . 15.9 mt -128.29 150.12 73.25 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.547 0.689 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.48 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.5 Cg_endo -69.73 135.08 29.62 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.667 2.245 . . . . 0.0 112.413 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -48.91 -19.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.39 -39.74 38.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.142 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.48 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.0 mmt180 -61.58 -52.81 62.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.527 HG21 ' HG2' ' A' ' 37' ' ' ARG . 49.1 mt -45.94 -49.09 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.457 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -50.39 -40.53 50.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.6 t -72.31 -62.43 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 69.9 t90 -41.12 -37.62 0.91 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.453 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 11.4 m-85 -76.41 -39.72 52.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 t -56.44 -50.36 71.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -64.95 -31.84 73.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 30.0 mmt-85 -62.95 -53.28 56.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -44.92 -42.45 8.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.18 -30.45 70.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -82.97 -19.07 37.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -90.75 -41.61 11.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.5 mtp85 -71.79 -22.68 61.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -87.11 -37.88 16.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.907 ' HA ' HD12 ' A' ' 68' ' ' LEU . 17.3 mt-10 -73.7 -47.77 37.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.09 -34.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -81.08 -42.52 20.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.907 HD12 ' HA ' ' A' ' 65' ' ' GLU . 11.4 mt -59.11 -36.11 74.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.2 mtt85 -75.37 -44.44 44.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -63.36 -50.49 69.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -54.31 -27.88 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' ARG . 27.9 ttp85 -66.83 -30.79 71.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' ARG . 22.2 ptt180 -37.16 138.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -127.43 163.29 24.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 77.7 p -64.63 -49.89 69.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -173.86 -83.52 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 118.63 5.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.4 m -66.24 149.97 49.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.808 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -81.57 -59.96 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.498 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -101.84 97.19 7.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 110.892 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -88.29 -62.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.96 126.62 0.38 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.52 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 m -58.59 161.89 4.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.876 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -62.73 -47.49 83.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.74 86.64 0.23 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.437 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -160.04 158.56 30.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -115.21 112.63 22.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -116.13 99.21 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -69.66 148.21 49.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.4 t -83.8 141.96 31.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.8 m -108.57 -49.72 3.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.812 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -56.49 169.82 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.0 p -114.73 151.35 33.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -51.67 -25.51 7.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -73.98 -29.17 61.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 95.8 mt-30 -90.33 -38.19 13.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 mt -58.0 -47.17 87.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -49.58 -45.38 47.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.715 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -74.71 -33.27 62.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.574 HD13 ' CD1' ' A' ' 54' ' ' TRP . 19.2 mt -71.98 -26.86 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -82.57 -38.62 23.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -66.27 -29.8 70.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -79.7 -23.07 42.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 58' ' ' ARG . 18.2 t80 -83.42 -39.77 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -58.4 -22.07 52.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -97.16 -36.93 10.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 t -155.14 130.48 9.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -81.14 -14.67 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -127.28 79.79 72.65 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.737 0.779 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.544 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 54.1 Cg_endo -69.78 99.22 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -48.97 174.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.52 -34.88 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.225 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -68.13 -18.14 64.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.85 -51.34 4.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.044 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.471 ' HG2' HG21 ' A' ' 51' ' ' ILE . 55.4 mtm-85 -60.74 -39.33 88.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -63.4 -57.49 10.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.0 mmt-85 -56.04 -44.75 79.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.3 tp -66.48 -40.99 89.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 46' ' ' LEU . . . -46.39 -35.11 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.7 -16.7 28.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -77.56 -31.21 53.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.762 HD12 HD12 ' A' ' 46' ' ' LEU . 3.0 pt -120.06 6.18 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 58.04 49.16 12.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.762 HD12 HD12 ' A' ' 44' ' ' ILE . 17.3 mt -127.07 149.25 68.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.642 0.734 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.463 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.9 Cg_endo -69.72 139.61 40.76 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.645 2.23 . . . . 0.0 112.414 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 6.4 tt0 -52.74 -16.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.48 -37.92 27.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.463 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 10.9 mmt180 -63.39 -52.93 59.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.471 HG21 ' HG2' ' A' ' 37' ' ' ARG . 28.0 mt -46.69 -46.99 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.436 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -51.04 -45.57 61.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 t -69.11 -55.04 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.574 ' CD1' HD13 ' A' ' 22' ' ' LEU . 30.9 t90 -49.36 -32.86 12.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.544 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 8.6 m-85 -80.98 -37.29 29.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.5 t -57.95 -52.45 65.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.765 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -58.7 -31.94 68.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.535 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 5.9 mmm180 -64.61 -52.8 55.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -46.75 -39.54 11.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.39 -33.74 69.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -78.4 -24.68 46.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.44 ' CZ2' ' HG3' ' A' ' 66' ' ' GLU . 85.2 t90 -88.91 -44.79 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.3 mtp85 -65.14 -22.27 66.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.2 ptt85 -86.55 -38.16 17.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -75.95 -49.91 16.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' HG3' ' CZ2' ' A' ' 62' ' ' TRP . 13.3 mm-40 -39.46 -34.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 70' ' ' ASN . 2.6 mptm? -77.15 -47.59 19.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.5 mt -42.22 -35.78 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -72.11 -38.53 69.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.517 ' C ' ' ND2' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -68.48 -22.92 64.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -71.2 -5.9 35.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.1 ttt-85 -111.64 20.2 17.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 60.22 39.26 19.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -117.45 100.82 7.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.1 t 58.41 36.83 25.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.75 83.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 139.67 40.76 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.8 m -122.02 168.61 11.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.4 p -108.47 162.14 14.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 p -161.11 165.05 30.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t 66.17 42.25 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.49 80.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.516 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -128.72 84.16 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.816 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -48.15 -56.18 8.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.21 149.27 25.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -67.09 81.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 9' ' ' ARG . 26.1 mtm105 -82.23 41.44 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -132.52 81.43 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -97.74 94.14 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 t -120.08 -7.87 9.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.531 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 1.8 p -70.72 -15.61 62.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.531 ' CG ' ' O ' ' A' ' 13' ' ' SER . 37.4 m-85 -161.19 161.64 30.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.2 t -115.51 153.21 31.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.187 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -45.85 -39.28 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -57.84 -35.69 71.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.425 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 84.6 mt-30 -87.18 -38.37 16.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.8 mt -59.15 -35.17 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 6.1 pt-20 -63.79 -38.59 91.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.712 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -80.8 -27.96 36.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.449 ' HG ' HD13 ' A' ' 44' ' ' ILE . 10.6 mt -77.6 -29.89 52.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.46 -46.69 25.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -57.58 -37.02 72.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -68.12 -30.09 69.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.476 ' CE1' ' CD2' ' A' ' 30' ' ' HIS . 5.7 t80 -77.69 -38.12 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -55.73 -28.7 57.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -91.3 -45.31 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.9 t -141.53 123.12 15.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.476 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 24.0 m170 -74.43 -13.15 60.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -134.46 82.62 45.52 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.628 0.728 . . . . 0.0 110.971 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.555 ' HG3' ' CE2' ' A' ' 55' ' ' PHE . 53.3 Cg_endo -69.74 109.49 2.32 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.686 2.258 . . . . 0.0 112.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -60.97 -174.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.88 -37.46 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -66.65 -20.6 66.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.63 -52.54 4.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.463 ' CD ' ' HG2' ' A' ' 52' ' ' GLN . 43.3 mtm-85 -56.25 -36.78 68.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -66.63 -56.75 9.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -53.98 -43.39 69.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.809 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.13 -39.15 75.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.24 -36.85 6.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.7 -16.69 26.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -74.36 -26.49 60.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 1.048 HD12 HD12 ' A' ' 46' ' ' LEU . 2.8 pt -125.61 -3.06 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.207 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.3 t0 70.48 41.33 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.048 HD12 HD12 ' A' ' 44' ' ' ILE . 23.3 mt -119.26 147.0 42.07 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.596 0.712 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.484 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 53.1 Cg_endo -69.8 134.72 28.58 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.243 . . . . 0.0 112.355 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 6.9 tt0 -46.25 -20.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 47' ' ' PRO . . . -77.34 -38.4 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.484 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 9.7 mmt180 -62.68 -55.95 22.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.501 HG23 ' CE1' ' A' ' 55' ' ' PHE . 44.0 mt -43.81 -47.15 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.463 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -48.98 -46.84 44.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.53 -61.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.578 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 68.6 t90 -43.44 -42.91 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 10.9 m-85 -70.28 -35.82 73.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.2 t -61.69 -44.6 96.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -65.32 -34.73 79.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.578 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 19.4 mmt-85 -60.64 -49.72 76.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -46.2 -42.8 14.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.29 -31.24 70.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.082 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -81.32 -25.24 36.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -86.17 -45.34 11.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.9 mtp85 -63.87 -42.97 97.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 65' ' ' GLU . 29.9 ptt85 -65.41 -42.6 92.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.417 ' HA ' HD12 ' A' ' 68' ' ' LEU . 10.5 mt-10 -67.99 -48.43 65.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.93 -34.79 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 70' ' ' ASN . 0.7 OUTLIER -74.04 -58.17 3.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 65' ' ' GLU . 37.1 mt -37.43 -35.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.0 mtt85 -77.18 -42.68 36.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 67' ' ' LYS . 22.5 t-20 -53.32 -30.55 39.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -70.27 -31.52 68.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -33.45 69.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 74' ' ' GLN . 10.6 tpp180 -50.48 136.15 21.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' ARG . 53.8 mt-30 36.71 43.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.8 p -90.37 -178.18 5.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.59 157.93 52.12 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.435 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -34.34 15.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.3 p -50.29 105.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.5 m -126.49 106.13 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.475 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.4 p -66.16 91.49 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.3 p -78.21 171.34 15.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.46 68.38 0.31 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.415 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 m -85.51 96.41 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -112.96 137.12 51.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.14 97.94 2.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -115.2 98.97 7.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.337 . . . . 0.0 110.935 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -164.5 157.15 16.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -115.27 130.0 56.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -129.48 96.97 4.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.5 p -83.0 45.28 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 m -58.43 -47.14 84.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -63.21 166.84 5.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.3 p -113.21 154.3 26.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -51.98 -30.59 25.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.11 -26.06 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.457 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 91.6 mt-30 -94.38 -34.25 12.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.7 -32.63 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 8.8 pt-20 -63.78 -43.79 95.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.529 ' HB3' ' CG2' ' A' ' 44' ' ' ILE . . . -78.21 -31.53 49.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.1 mt -72.17 -22.87 61.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -83.25 -46.77 12.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -54.6 -39.9 68.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' OE1' HG22 ' A' ' 29' ' ' THR . 8.6 tp10 -69.37 -28.92 66.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.405 ' CE1' ' CD2' ' A' ' 30' ' ' HIS . 5.4 t80 -77.04 -40.38 46.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -56.59 -29.93 62.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -89.72 -46.14 8.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.411 HG22 ' OE1' ' A' ' 25' ' ' GLU . 8.8 t -144.72 127.11 15.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.405 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 21.1 m170 -76.56 -12.57 60.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -133.32 80.62 57.9 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.649 0.738 . . . . 0.0 110.937 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.46 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 53.3 Cg_endo -69.82 108.23 2.04 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.292 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -54.6 -175.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 35' ' ' PHE . 7.2 p -58.49 -40.67 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.064 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.411 ' N ' HG13 ' A' ' 34' ' ' VAL . 8.4 m-85 -62.63 -22.29 66.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 32' ' ' PRO . . . -89.39 -53.72 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.067 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.539 ' HG2' HG21 ' A' ' 51' ' ' ILE . 51.9 mtm-85 -61.07 -39.96 91.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.71 -53.25 57.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -61.47 -42.79 99.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.6 -38.08 83.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.08 -35.35 6.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.092 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.64 -17.91 26.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -74.0 -30.51 62.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.773 HD12 HD12 ' A' ' 46' ' ' LEU . 2.2 pt -122.47 3.12 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 t0 60.82 47.48 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.773 HD12 HD12 ' A' ' 44' ' ' ILE . 17.8 mt -124.34 150.13 63.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.49 0.662 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.491 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 54.1 Cg_endo -69.79 135.69 31.03 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -47.89 -20.42 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.77 -40.68 40.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.491 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 8.9 mmt-85 -60.31 -52.96 63.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.539 HG21 ' HG2' ' A' ' 37' ' ' ARG . 28.5 mt -46.1 -50.12 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.464 ' HG2' ' CD ' ' A' ' 37' ' ' ARG . 3.9 mt-30 -48.95 -43.88 40.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.2 t -67.6 -62.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.561 ' CZ3' ' HG3' ' A' ' 58' ' ' ARG . 75.0 t90 -40.74 -43.67 2.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.416 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 11.3 m-85 -69.34 -42.94 74.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.2 t -53.95 -52.14 61.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -61.46 -40.88 96.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.561 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 13.2 mmt-85 -52.6 -54.98 25.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -40.34 -41.35 1.35 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.58 -41.08 96.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' ARG . 13.0 ttpt -73.18 -33.69 65.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -73.52 -42.94 61.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 -70.61 -28.36 64.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -85.64 -36.77 20.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.487 ' HA ' HD12 ' A' ' 68' ' ' LEU . 24.4 mt-10 -71.76 -48.39 47.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.842 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -36.86 -34.92 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -79.42 -46.13 18.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 65' ' ' GLU . 21.3 mt -59.41 -34.81 72.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -32.35 72.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -75.66 -6.0 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -85.34 -11.46 54.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.8 14.65 22.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? 60.33 42.9 14.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -92.38 -49.1 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -114.31 151.15 33.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.69 146.41 2.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 171.15 14.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.644 2.229 . . . . 0.0 112.39 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.9 t -174.94 139.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.1 p 45.1 42.97 7.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.464 -179.975 . . . . . . . . 0 0 . 1 stop_ save_